Sadtler Handbook of Infrared Spectra

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Table of Contents - IR

I. HydrocarbonsII. Halogenated Hydrocarbons

III. Nitrogen Containing CompoundsIV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O And P(=O)-O)

VI. Sulfur Containing CompoundsVII. Oxygen Containing Compounds (Except -C(=O)-)

VIII. Compounds Containing Carbon To Oxygen Double Bonds

I. HydrocarbonsA. Saturated Hydrocarbons

1. Normal Alkanes2. Branched Alkanes3. Cyclic Alkanes

B. Unsaturated Hydrocarbons1. Acyclic Alkenes2. Cyclic Alkenes3. Alkynes

C. Aromatic Hydrocarbons1. Monocyclic (Benzenes)2. Polycyclic

II. Halogenated HydrocarbonsA. Fluorinated Hydrocarbons

1. Aliphatic2. Aromatic

B. Chlorinated Hydrocarbons1. Aliphatic2. Olefinic3. Aromatic

C. Brominated Hydrocarbons1. Aliphatic2. Olefinic3. Aromatic

D. Iodinated Hydrocarbons1. Aliphatic and Olefinic2. Aromatic

III. Nitrogen Containing CompoundsA. Amines

1. Primarya. Aliphatic and Olefinicb. Aromatic

2. Secondarya. Aliphatic and Olefinic

b. Aromatic3. Tertiary

a. Aliphatic and Olefinicb. Aromatic

B. PyridinesC. QuinolinesD. Miscellaneous Nitrogen HeteroaromaticsE. HydrazinesF. Amine SaltsG. Oximes (-CH=N-OH)H. Hydrazones (-CH=N-NH2)I. Azines (-CH=N-N=CH-)J. Amidines (-N=CH-N)K. Hydroxamic AcidsL. Azo Compounds (-N=N-)M. Triazenes (-N=N-NH-)N. Isocyanates (-N=C=O)O. Carbodiimides (-N=C=N-)P. Isothiocyanates (-N=C=S)Q. Nitriles (-C≡N)

1. Aliphatic2. Olefinic3. Aromatic

R. Cyanamides (=N-C≡N)S. Thiocyanates (-S-C≡N)T. Nitroso Compounds (-N=O)U. N-Nitroso Compounds (=N-N=O)V. Nitrites (-O-N=O)W. Nitro Compounds (-NO2)


X. N-Nitro-Compounds (=N-NO2)IV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O and P(=O)-O)

VI. Sulfur Containing CompoundsA. Sulfides (R-S-R)

1. Aliphatic2. Heterocyclic3. Aromatic

B. Disulfides (R-S-S-R)C. Thiols


D. Sulfoxides (R-S(=O)-R)E. Sulfones (R-SO2-R)F. Sulfonyl Halides (R-SO2-X)G. Sulfonic Acids (R-SO2-OH)

1. Sulfonic Acid Salts (R-SO2-O-M)2. Sulfonic Acid Esters (R-SO2-O-R)3. Sulfuric Acid Esters (R-O-S(=O)-O-R)

H. Thioamides (R-C(=S)-NH2)I. Thioureas (R-NH-C(=S)-NH2)

J. Sulfonamides (R-SO2-NH2)K. Sulfamides (R-NH-SO2-NH-R)

VII. Oxygen Containing Compounds (Except -C(=O)-)A. Ethers

1. Aliphatic Ethers (R-O-R)2. Acetals (R-CH-(-O-R)2)3. Alicyclic Ethers4. Aromatic Ethers5. Furans6. Silicon Ethers (R3-Si-O-R)7. Phosphorus Ethers ((R-O)3-P)8. Peroxides (R-O-O-R)

B. Alcohols (R-OH)1. Primary

a. Aliphatic and Alicyclicb. Olefinicc. Aromaticd. Heterocyclic

2. Secondarya. Aliphatic and Alicyclicb. Olefinicc. Aromatic

3. Tertiarya. Aliphaticb. Olefinicc. Aromatic

4. Diols5. Carbohydrates6. Phenols

VIII. Compounds Containing Carbon To Oxygen Double BondsA. Ketones (R-C(=O)-R)

1. Aliphatic and Alicyclic2. Olefinic3. Aromatic4. α-Diketones and β-Diketones

B. Aldehydes (R-C(=O)-H)C. Acid Halides (R-C(=O)-X)D. Anhydrides (R-C(=O)-O-C(=O)-R)E. Amides

1. Primary (R-C(=O)-NH2)2. Secondary (R-C(=O)-NH-R)3. Tertiary (R-C(=O)-N-R2)

F. Imides (R-C(=O)-NH-C(=O)-R)G. Hydrazides (R-C(=O)-NH-NH2)H. Ureas (R-NH-C(=O)-NH2)I. Hydantoins, Uracils, BarbituratesJ. Carboxylic Acids (R-C(=O)-OH)

1. Aliphatic and Alicyclic2. Olefinic3. Aromatic4. Amino Acids5. Salts of Carboxylic Acids

K. Esters1. Aliphatic Esters of Aliphatic Acids2. Olefinic Esters of Aliphatic Acids3. Aliphatic Esters of Olefinic Acids4. Aromatic Esters of Aliphatic Acids5. Esters of Aromatic Acids6. Cyclic Esters (Lactones)7. Chloroformates8. Esters of Thio-Acids9. Carbamates

10. Esters of Phosphorus Acids

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Table of Contents - Proton NMR


III. Nitrogen Containing CompoundsIV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O and P(=O)-O)









B. Chlorinated Hydrocarbons1. Aliphatic2. Aromatic

C. Brominated Hydrocarbons1. Aliphatic2. Aromatic

D. Iodinated Hydrocarbons1. Aliphatic2. Aromatic


1. Primarya. Aliphaticb. Aromatic

2. Secondarya. Aliphaticb. Aromatic

3. Tertiary

http://www.knowitall.com/handbook/hnmr/saturated_hydrocarbons/normal/normal.html

http://www.knowitall.com/handbook/hnmr/saturated_hydrocarbons/branched/branched.html

http://www.knowitall.com/handbook/hnmr/saturated_hydrocarbons/cyclic/HNMR_Cyclic_Alkanes.htm

http://www.knowitall.com/handbook/hnmr/unsaturated_hydrocarbons/acyclicalkenes/acyclicalkenes.html

http://www.knowitall.com/handbook/hnmr/unsaturated_hydrocarbons/cyclicalkenes/cyclicalkenes.html

http://www.knowitall.com/handbook/hnmr/unsaturated_hydrocarbons/alkynes/alkynes.html

http://www.knowitall.com/handbook/hnmr/unsaturated_hydrocarbons/aromatics/aromatics.html

http://www.knowitall.com/handbook/hnmr/unsaturated_hydrocarbons/aromatics/aromatics.html

http://www.knowitall.com/handbook/hnmr/fluorinated_hydrocarbons/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/fluorinated_hydrocarbons/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/chlorinated_hydrocarbons/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/chlorinated_hydrocarbons/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/brominated_hydrocarbons/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/brominated_hydrocarbons/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/iodinated_hydrocarbons/aliphatic_olefinic/aliphatic_olefinic.html

http://www.knowitall.com/handbook/hnmr/iodinated_hydrocarbons/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/amines/primary/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/amines/primary/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/amines/secondary/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/amines/secondary/aromatic/aromatic.html

a. Aliphaticb. Aromatic

B. PyridinesC. Quaternary Ammonium SaltsD. HydrazinesE. Amine SaltsF. Ylidene Compounds (-CH=N-)G. Oximes (-CH=N-OH)H. Hydrazones (-CH=N-NH2)I. Azines (-CH=N-N=CH-)J. Amidines (-N=CH-N)K. Hydroxamic AcidsL. Azo Compounds (-N=N-)M. Isocyanates (-N=C=O)N. Carbodiimides (-N=C=N-)O. Isothiocyanates (-N=C=S)P. Nitriles (-C≡N)


Q. Cyanamides (=N-C≡N)R. Isocyanides (-N≡C )S. Thiocyanates (-S-C≡N)T. Nitroso Compounds (-N=O)U. N-Nitroso Compounds (=N-N=O)V. Nitrates (-O-NO2)W. Nitrites (-O-N=O)X. Nitro Compounds (-NO2)


Y. N-Nitro-Compounds (=N-NO2)IV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O and P(=O)-O)






1. Sulfonic Acid Salts (R-SO2-O-M)2. Sulfonic Acid Esters (R-SO2-O-R)3. Sulfuric Acid Esters (R-O-S(=O)-O-R)4. Sulfuric Acid Salts (R-O-SO2-O-M)

H. Thioamides (R-C(=S)-NH2)I. Thioureas (R-NH-C(=S)-NH2)

http://www.knowitall.com/handbook/hnmr/amines/tertiary/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/amines/tertiary/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/pyridines/pyridines.html

http://www.knowitall.com/handbook/hnmr/quaternary_ammonium_salts/quaternary_ammonium_salts.html

http://www.knowitall.com/handbook/hnmr/hydrazines/hydrazines.html

http://www.knowitall.com/handbook/hnmr/amine_salts/amine_salts.html

http://www.knowitall.com/handbook/hnmr/ylidene%20compounds/ylidine_compounds.html

http://www.knowitall.com/handbook/hnmr/oximes/oximes.html

http://www.knowitall.com/handbook/hnmr/hydrazones/hydrazones.html

http://www.knowitall.com/handbook/hnmr/azines/azines.html

http://www.knowitall.com/handbook/hnmr/amidines/amidines.html

http://www.knowitall.com/handbook/hnmr/hydroxamic_acids/hydroxamic_acids.html

http://www.knowitall.com/handbook/hnmr/azo_compounds/azo_compounds.html

http://www.knowitall.com/handbook/hnmr/isocyanates/isocyanates.html

http://www.knowitall.com/handbook/hnmr/carbodiimides/carbodiimides.html

http://www.knowitall.com/handbook/hnmr/isothiocyanates/isothiocyanates.html

http://www.knowitall.com/handbook/hnmr/nitriles/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/nitriles/olefinic/olefinic.html

http://www.knowitall.com/handbook/hnmr/nitriles/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/cyanamides/cyanamides.html

http://www.knowitall.com/handbook/hnmr/isocyanides/isocyanides.html

http://www.knowitall.com/handbook/hnmr/thiocyanates/thiocyanates.html

http://www.knowitall.com/handbook/hnmr/nitroso/nitroso.html

http://www.knowitall.com/handbook/hnmr/N-nitroso/nnitroso.html

http://www.knowitall.com/handbook/hnmr/nitrates/nitrates.html

http://www.knowitall.com/handbook/hnmr/nitrites/nitrites.html

http://www.knowitall.com/handbook/hnmr/nitro_compounds/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/nitro_compounds/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/nitro_compounds/N-nitro/nitro_compounds.html

http://www.knowitall.com/handbook/hnmr/silicon/silicon.html

http://www.knowitall.com/handbook/hnmr/phosphorus/phosphorus.html

http://www.knowitall.com/handbook/hnmr/sulfides/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/sulfides/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/sulfides/disulfides/disulfides.html

http://www.knowitall.com/handbook/hnmr/thiols/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/thiols/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/sulfoxides/sulfoxides.html

http://www.knowitall.com/handbook/hnmr/sulfones/sulfones.html

http://www.knowitall.com/handbook/hnmr/sulfonyl_halides/sulfonyl_halides.html

http://www.knowitall.com/handbook/hnmr/sulfonic_acids/sulfonic_acids/sulfonic_acids.html

http://www.knowitall.com/handbook/hnmr/sulfonic_acids/sulfonic_acid_salts/sulfonic_acid_salts.html

http://www.knowitall.com/handbook/hnmr/sulfonic_acids/sulfonic_acid_esters/sulfonic_acid_esters.html

http://www.knowitall.com/handbook/hnmr/sulfonic_acids/sulfuric_acid_esters/sulfuric_acid_esters.html

http://www.knowitall.com/handbook/hnmr/sulfonic_acids/sulfuric_acid_salts/sulfuric_acid_salts.html

http://www.knowitall.com/handbook/hnmr/thioamides/thioamides.html

http://www.knowitall.com/handbook/hnmr/thioureas/thioureas.html

J. Sulfonamides (R-SO2-NH2)VII. Oxygen Containing Compounds (Except -C(=O)-)

A. Ethers1. Aliphatic Ethers (R-O-R)2. Alicyclic Ethers3. Aromatic Ethers4. Furans5. Silicon Ethers (R3-Si-O-R)6. Phosphorus Ethers ((R-O)3-P)


a. Aliphaticb. Olefinicc. Aromatic


3. Tertiarya. Aliphaticb. Aromatic

4. Diols and Polyols5. Carbohydrates6. Phenols


1. Aliphatic and Alicyclic2. Olefinic3. Aromatic4. a-Diketones and b-Diketones





K. Esters1. Aliphatic Esters of Aliphatic Acids2. Olefinic Esters of Aliphatic Acids3. Aromatic Esters of Aliphatic Acids4. Cyclic Esters (Lactones)5. Chloroformates6. Carbamates

http://www.knowitall.com/handbook/hnmr/sulfonamides/sulfonamides.html

http://www.knowitall.com/handbook/hnmr/ethers/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/ethers/alicyclic/alicyclic.html

http://www.knowitall.com/handbook/hnmr/ethers/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/ethers/furans/furans.html

http://www.knowitall.com/handbook/hnmr/ethers/silicon/silicon.html

http://www.knowitall.com/handbook/hnmr/ethers/phosphorus/phosphorus.html

http://www.knowitall.com/handbook/hnmr/primary_alcohols/aliphatic_and_alicyclic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/primary_alcohols/olefinic/olefinic.html

http://www.knowitall.com/handbook/hnmr/primary_alcohols/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/secondary_alcohols/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/secondary_alcohols/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/tertiary_alcohols/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/tertiary_alcohols/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/diols/diols.html

http://www.knowitall.com/handbook/hnmr/carbohydrates/carbohydrates.html

http://www.knowitall.com/handbook/hnmr/phenols/phenols.html

http://www.knowitall.com/handbook/hnmr/ketones/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/ketones/olefinic/olefinic.html

http://www.knowitall.com/handbook/hnmr/ketones/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/ketones/diketones/diketones.html

http://www.knowitall.com/handbook/hnmr/aldehydes/aldehydes.html

http://www.knowitall.com/handbook/hnmr/acid_halides/acid_halides.html

http://www.knowitall.com/handbook/hnmr/anhydrides/anhydrides.html

http://www.knowitall.com/handbook/hnmr/amides/primary/primary.html

http://www.knowitall.com/handbook/hnmr/amides/secondary/secondary.html

http://www.knowitall.com/handbook/hnmr/amides/tertiary/tertiary.html

http://www.knowitall.com/handbook/hnmr/imides/imides.html

http://www.knowitall.com/handbook/hnmr/hydrazides/hydrazides.html

http://www.knowitall.com/handbook/hnmr/ureas/ureas.html

http://www.knowitall.com/handbook/hnmr/hydantoins/hydantoins.html

http://www.knowitall.com/handbook/hnmr/carboxylic_acids/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/carboxylic_acids/olefinic/olefinic.html

http://www.knowitall.com/handbook/hnmr/carboxylic_acids/aromatic/aromatic.html

http://www.knowitall.com/handbook/hnmr/carboxylic_acids/amino_acids/amino_acids.html

http://www.knowitall.com/handbook/hnmr/carboxylic_acids/salts/salts.html

http://www.knowitall.com/handbook/hnmr/esters/aliphatic/aliphatic.html

http://www.knowitall.com/handbook/hnmr/esters/aliphatic_olefinic/aliphatic_olefinic.html

http://www.knowitall.com/handbook/hnmr/esters/aromatic_aliphatic/aromatic_aliphatic.html

http://www.knowitall.com/handbook/hnmr/esters/lactones/lactones.html

http://www.knowitall.com/handbook/hnmr/esters/chloroformates/chloroformates.html

http://www.knowitall.com/handbook/hnmr/esters/carbamates/carbamates.html

7. Esters of Phosphorus Acids


http://www.knowitall.com/handbook/hnmr/esters/phosphorus_acids/phosphorus_acids.html



Table of Contents - Carbon NMR







B. Unsaturated Hydrocarbons1. Acyclic Alkenes2. Alkynes

C. Aromatic Hydrocarbons1. Monocyclic (Benzenes) and Polycyclic



B. Chlorinated Hydrocarbons1. Aliphatic2. Aromatic

C. Brominated Hydrocarbons1. Aliphatic2. Aromatic

D. Iodinated Hydrocarbons1. Aliphatic2. Aromatic


1. Primarya. Aliphaticb. Aromatic


3. Tertiarya. Aliphaticb. Aromatic

http://www.knowitall.com/handbook/cnmr/saturated_hydrocarbons/normal/normal.htm

http://www.knowitall.com/handbook/cnmr/saturated_hydrocarbons/branched/branched.htm

http://www.knowitall.com/handbook/cnmr/saturated_hydrocarbons/cyclic/cyclic.htm

http://www.knowitall.com/handbook/cnmr/unsaturated_hydrocarbons/acyclicalkenes/acyclicalkenes.htm

http://www.knowitall.com/handbook/cnmr/unsaturated_hydrocarbons/alkynes/alkynes.htm

http://www.knowitall.com/handbook/cnmr/aromatic_hydrocarbons/aromatic_hydrocarbons.htm

http://www.knowitall.com/handbook/cnmr/fluorinated_hydrocarbons/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/fluorinated_hydrocarbons/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/chlorinated_hydrocarbons/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/chlorinated_hydrocarbons/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/brominated_hydrocarbons/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/brominated_hydrocarbons/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/iodinated_hydrocarbons/aliphatic_olefinic/aliphatic_olefinic.htm

http://www.knowitall.com/handbook/cnmr/iodinated_hydrocarbons/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/amines/primary/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/amines/primary/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/amines/secondary/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/amines/secondary/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/amines/tertiary/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/amines/tertiary/aromatic/aromatic.htm

B. PyridinesC. Amine SaltsD. Oximes (-CH=N-OH)E. Quaternary Ammonium SaltsF. Nitriles (-C≡N)


G. Thiocyanates (-S-C≡N)H. Nitro Compounds (-NO2)


IV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O and P(=O)-O)





D. Sulfones (R-SO2-R)VII. Oxygen Containing Compounds (Except -C(=O)-)

A. Ethers1. Aliphatic Ethers (R-O-R)2. Alicyclic Ethers3. Aromatic Ethers


a. Aliphatic and Alicyclicb. Aromatic

2. Secondarya. Aliphatic and Alicyclic

3. Tertiarya. Aliphatic

4. PhenolsVIII. Compounds Containing Carbon To Oxygen Double Bonds

A. Ketones (R-C(=O)-R)1. Aliphatic and Alicyclic2. Aromatic



F. Carboxylic Acids (R-C(=O)-OH)1. Aliphatic and Alicyclic2. Aromatic

G. Esters1. Aliphatic Esters of Aliphatic Acids

http://www.knowitall.com/handbook/cnmr/pyridines/pyridines.htm

http://www.knowitall.com/handbook/cnmr/amine_salts/amine_salts.htm

http://www.knowitall.com/handbook/cnmr/oximes/oximes.htm

http://www.knowitall.com/handbook/cnmr/quaternary_ammonium_salts/quaternary_ammonium_salts.htm

http://www.knowitall.com/handbook/cnmr/nitriles/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/nitriles/olefinic/olefinic.htm

http://www.knowitall.com/handbook/cnmr/nitriles/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/thiocyanates/thiocyanates.htm

http://www.knowitall.com/handbook/cnmr/nitro_compounds/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/nitro_compounds/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/phosphorus/phosphorus.htm

http://www.knowitall.com/handbook/cnmr/sulfides/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/sulfides/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/sulfides/disulfides/disulfides.htm

http://www.knowitall.com/handbook/cnmr/thiols/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/thiols/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/sulfones/sulfones.htm

http://www.knowitall.com/handbook/cnmr/ethers/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/ethers/alicyclic/alicyclic.htm

http://www.knowitall.com/handbook/cnmr/ethers/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/primary_alcohols/aliphatic_and_alicyclic/alcohols.htm

http://www.knowitall.com/handbook/cnmr/primary_alcohols/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/secondary_alcohols/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/tertiary_alcohols/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/phenols/phenols.htm

http://www.knowitall.com/handbook/cnmr/ketones/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/ketones/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/aldehydes/aldehydes.htm

http://www.knowitall.com/handbook/cnmr/acid_halides/acid_halides.htm

http://www.knowitall.com/handbook/cnmr/anhydrides/anhydrides.htm

http://www.knowitall.com/handbook/cnmr/amides/primary/primary.htm

http://www.knowitall.com/handbook/cnmr/amides/secondary/secondary.htm

http://www.knowitall.com/handbook/cnmr/amides/tertiary/tertiary.htm

http://www.knowitall.com/handbook/cnmr/carboxylic_acids/aliphatic/aliphatic.htm

http://www.knowitall.com/handbook/cnmr/carboxylic_acids/aromatic/aromatic.htm

http://www.knowitall.com/handbook/cnmr/esters/aliphatic/aliphatic.htm

2. Olefinic Esters of Aliphatic Acids3. Aromatic Esters of Aliphatic Acids


http://www.knowitall.com/handbook/cnmr/esters/olefinic_esters_aliphatic_acids/olefinic_esters_aliphatic_acids.htm

http://www.knowitall.com/handbook/cnmr/esters/aromatic_aliphatic/aromatic_aliphatic.htm



Table of Contents - MS

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B. Chlorinated Hydrocarbons1. Aliphatic2. Olefinic3. Aromatic

C. Brominated Hydrocarbons1. Aliphatic2. Olefinic3. Aromatic

D. Iodinated Hydrocarbons1. Aliphatic and Olefinic2. Aromatic


1. Primarya. Aliphatic and Olefinicb. Aromatic

2. Secondarya. Aliphatic and Olefinic

b. Aromatic3. Tertiary

a. Aliphatic and Olefinicb. Aromatic

B. PyridinesC. QuinolinesD. Miscellaneous Nitrogen HeteroaromaticsE. HydrazinesF. Amine SaltsG. Oximes (-CH=N-OH)H. Hydrazones (-CH=N-NH2)I. Azines (-CH=N-N=CH-)J. Amidines (-N=CH-N)K. Hydroxamic AcidsL. Azo Compounds (-N=N-)M. Triazenes (-N=N-NH-)N. Isocyanates (-N=C=O)O. Carbodiimides (-N=C=N-)P. Isothiocyanates (-N=C=S)Q. Nitriles (-C≡N)


R. Cyanamides (=N-C≡N)S. Thiocyanates (-S-C≡N)T. Nitroso Compounds (-N=O)U. N-Nitroso Compounds (=N-N=O)V. Nitrites (-O-N=O)W. Nitro Compounds (-NO2)


X. N-Nitro-Compounds (=N-NO2)IV. Silicon Containing Compounds (Except Si-O)V. Phosphorus Containing Compounds (Except P-O and P(=O)-O)


1. Aliphatic2. Heterocyclic3. Aromatic




1. Sulfonic Acid Salts (R-SO2-O-M)2. Sulfonic Acid Esters (R-SO2-O-R)3. Sulfuric Acid Esters (R-O-S(=O)-O-R)

H. Thioamides (R-C(=S)-NH2)I. Thioureas (R-NH-C(=S)-NH2)J. Sulfonamides (R-SO2-NH2)K. Sulfamides (R-NH-SO2-NH-R)

VII. Oxygen Containing Compounds (Except -C(=O)-)A. Ethers

1. Aliphatic Ethers (R-O-R)2. Acetals (R-CH-(-O-R)2)3. Alicyclic Ethers4. Aromatic Ethers5. Furans6. Silicon Ethers (R3-Si-O-R)7. Phosphorus Ethers ((R-O)3-P)8. Peroxides (R-O-O-R)


a. Aliphatic and Alicyclicb. Olefinicc. Aromaticd. Heterocyclic

2. Secondarya. Aliphatic and Alicyclicb. Olefinicc. Aromatic

3. Tertiarya. Aliphaticb. Olefinicc. Aromatic

4. Diols5. Carbohydrates6. Phenols


1. Aliphatic and Alicyclic2. Olefinic3. Aromatic4. α-Diketones and β-Diketones





K. Esters1. Aliphatic Esters of Aliphatic Acids2. Olefinic Esters of Aliphatic Acids3. Aliphatic Esters of Olefinic Acids4. Aromatic Esters of Aliphatic Acids5. Esters of Aromatic Acids6. Cyclic Esters (Lactones)7. Chloroformates8. Esters of Thio-Acids

9. Carbamates10. Esters of Phosphorus Acids




Saturated Hydrocarbons

Normal Alkanes

1. C-H stretching vibration: CH3 asymmetric stretching, 2972-2952 cm-1 CH3 symmetric stretching, 2882-2862 cm-1

CH2 asymmetric stretching, 2936-2916 cm-1 CH2 symmetric stretching, 2863-2843 cm-1

2. C-H bending vibration: CH3 asymmetric bending, 1470-1430 cm-1

CH2 asymmetric bending, 1485-1445 cm-1 (overlaps band due to CH3 asymmetric bending) 3. C-H bending vibration: CH3 symmetric bending, 1380-1365 cm-1 (when CH3 is attached to a C atom)4. C-H wagging vibration: CH2 out-of-plane deformations wagging, 1307-1303 cm-1 (weak)5. CH2 rocking vibration: (CH2)2 in-plane deformations rocking, 750-740 cm-1 (CH2)3 in-plane deformations rocking, 740-730 cm-1

(CH2)4 in-plane deformations rocking, 730-725 cm-1

(CH2) ≥ 6 in-plane deformations rocking, 722 cm-1

Splitting of the absorption band occurs in most cases (730 and 720 cm-1) when the long carbon-chain alkane is in the crystalline state (orthorombic or monoclinic form).

Coming Soon!

Click on a vibrational mode link in the table to the leftor the spectrum above to visualize the vibrational mode here.





Branched Alkanes

1. C-H stretching vibration: CH3 asymmetric stretching, 2972-2952 cm-1 CH3 symmetric stretching, 2882-2862 cm-1

CH2 asymmetric stretching, 2936-2916 cm-1 CH2 symmetric stretching, 2863-2843 cm-1

2. C-H bending vibration: CH3 asymmetric bending, 1470-1430 cm-1

CH2 asymmetric bending, 1485-1445 cm-1 (overlaps band due to CH3 symmetric bending) 3. C-H bending vibration: -C-C(CH3)-C-C- symmetric bending, 1380-1365 cm-1

(when CH3 is attached to a C atom) -C-C(CH3)-C(CH3)-C-C- symmetric bending, 1380-1365 cm-1

(when CH3 is attached to a C atom) (CH3)2CH- symmetric bending, 1385-1380 cm-1and 1365 cm-1

(two bands of about equal intensity) -C-C(CH3)2-C- symmetric bending,1385-1380 cm-1and 1365 cm-1

(two bands of about equal intensity). (CH3)3C- symmetric bending, 1395-1385 cm-1and 1365 cm-1

(two bands of unequal intensity with the 1365 cm-1 band as the much stronger component of the doublet).4. Skeletal vibration: -C-C(CH3)-C-C-,1159-1151cm-1 -C-C(CH3)-C(CH3)-C-C-,1130-1116 cm-1 (CH3)CH-,1175-1165 cm-1 and 1170-1140 cm-1 -C-C(CH3)2-C-,1192-1185 cm-1 (CH3)3C-, 1255-1245 cm-1 and 1250-1200 cm-1 5. C-H rocking vibration: (CH2)2 in-plane deformations rocking, 750-740 cm-1 (CH2)3 in-plane deformations rocking, 740-730 cm-1

(CH2)4 in-plane deformations rocking, 730-725 cm-1

(CH2) ≥ 6 in-plane deformations rocking, 722 cm-1

Coming Soon!

Click on a vibrational mode link in the table to the leftor the spectrum above to visualize the vibrational mode

here.





Cyclic Alkanes

Cyclopropanes

1. C-H stretching vibration: ring CH2 asymmetric stretching, 3100-3072 cm-1

ring CH2 symmetric stretching, 3030-2995 cm-1

2. Ring deformation vibration: ring deformation, 1050-1000 cm-1

3. C-H deformation vibration: CH2 wagging, 860-790 cm-1

Cyclobutanes

1. C-H stretching vibration: ring CH2 asymmetric stretching, 3000-2974 cm-1 ring CH2 symmetric stretching, 2925-2875 cm-1

2. C-H deformation vibration: ring CH2 asymmetric bending, ca 1444 cm-1

3. Ring deformation vibration: ring deformation, 1000-960 cm-1 888-838 cm-1

4. C-H deformation vibration: ring CH2 rocking, 950-900 cm-1

Cyclopentanes

1. C-H stretching vibration: ring CH2 asymmetric stretching, 2960-2952 cm-1 ring CH2 symmetric stretching, 2866-2853 cm-1 2. C-H deformation vibration: ring CH2 asymmetric bending, ca 1455 cm-1 3. Ring deformation vibration: ring deformation, 1000-960 cm-1 4. C-H deformation vibration: ring CH2rocking, 930-890 cm-1

Cyclohexanes

1. C-H stretching vibration: ring CH2 asymmetric stretching, ca 2927 cm-1 ring CH2 symmetric stretching, ca 2854 cm-1 2. C-H deformation vibration: ring CH2 asymmetric bending, ca 1462 cm-1 3. C-H deformation vibration: ring CH2 wagging, ca 1260 cm-1 4. Ring deformation vibration: ring deformation, 1055-1000 cm-1 1000- 952 cm-1 5. C-H deformation vibration: ring CH2 rocking, 890-860 cm-1 6. The spectra of cyclic alkanes of five or more ring carbons show ring CH2 stretching frequencies which overlap those of CH3 and CH2 groups of their alkyl substituents. These frequencies also overlap those of the CH3 and CH2 stretching frequencies of acylic alkanes. When samples of unknown composition are examined for the presence of such ring structures, the absorption bands of their spectra at the C-H stretching region should have the best possible resolution.

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Numerous references cite the spectral region of 2800-2600 cm-1 for obtaining confirmatory evidence of the presence of saturated simple ring structures. Absorption at this region consists of a weak band or bands whose pattern and band locations are helpful in confirming or indicating the presence of these rings. Although such absorption features have a limited diagnostic value, it is most reliable when the absorption occurs in the spectra of simple saturated aliphatic hydrocarbons.

Cycloalkanes (8, 9, and 10 C atoms)

1 C-H stretching vibration: ring CH2 asymmetric stretching, ca 2930 cm-1 ring CH2 symmetric stretching, ca 2850 cm-1

2. C-H deformation vibration: ring CH2 asymmetric bending, 2 or 3 absorption bands, 1487-1443 cm-1




Unsaturated Hydrocarbons

Acyclic Alkenes

Monosubstituted Alkenes (vinyl)

1. C=C stretching vibration: C=C stretching, 1648-1638 cm-1

2. C-H deformation vibration: trans CH wagging, 995-985 cm-1

CH2 wagging, 910-905 cm-1

3. C-H stretching vibration: CH2 asymmetric stretching, 3092-3077 cm-1

CH2 symmetric stretching and CH stretching, 3025-3012 cm-1

4. C-H deformation vibration: CH2 asymmetric bending, 1420-1412 cm-1

5. C-H deformation vibration overtone: overtone of CH2 wagging, 1840-1805 cm-1

Asymmetric Disubstituted Alkenes (vinylidine)


2. C-H deformation vibration: CH2 wagging, 895-885 cm-1

3. C-H stretching vibration: CH2 stretching asymmetric, 3100-3077 cm-1

4. C-H deformation vibration overtone: overtone of CH2 wagging, 1792- 1775 cm-1

Symmetric Disubstituted Alkenes (cis)

1. C=C stretching vibration: C=C stretching, 1662- 1631 cm-1

2. C-H deformation vibration: cis CH wagging, 730- 650 cm-1

3. C-H stretching vibration: CH stretching, 3050-3000 cm-1

Symmetric Disubstituted Alkenes (trans)

1. C=C stretching vibration: C=C stretching, ca 1673 cm-1, very weak or absent2. C-H deformation vibration: trans CH wagging, 980-965 cm-1

3. C-H stretching vibration: CH stretching, 3050-3000 cm-1

Trisubstituted Alkenes


2. C—H deformation vibration: C-H wagging, 840-790 cm-1

3. C-H stretching vibration: C-H stretching, 3050-2990 cm-1

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Tetrasubstituted Alkenes

1. C=C stretching vibration: C=C stretching, 1680-1665 cm-1, very weak or absent

NOTES: The C=C stretching vibration of molecules which maintain a center of symmetry absorbs very weakly, if at all, in the infrared region and, usually, is difficult to detect. This is true of the trans isomers and the tetrasubstituted C=C linkages.

When two or more olefinic groups occur in the hydrocarbon molecule, the infrared absorption spectrum shows the additive and combined absorption of the unsaturated groups. However, if the unsaturated groups are subject to conjugation, the C=C stretching frequency, usually, is lowered and a splitting of the C=C stretching frequency band occurs. Conjugation also intensifies the C=C stretching frequency of trans unsaturated groups.





Cyclic Alkenes

Endocyclic C=C

Endocyclic C=C corresponds to cis symmetrically disubstituted C=C of acyclic alkenes.

1. C=C stretching, vibration: C=C stretching, near 1650 cm-1

(except cyclobutene, 1560 cm-1 and cyclopentene, 1611 cm-1)2. C-H deformation vibration: CH wagging, 730- 650 cm-1

3. C-H stretching vibration: CH stretching, 3075- 3010 cm-1

(usually two bands, asymmetric stretching and symmetric stretching for 4, 6, 7, and 8 membered rings)

1- substituted endocyclic C=C

1- substituted endocyclic C=C corresponds to trisubstituted acyclic alkenes.

1. C=C stretching vibration: C=C stretching, near 1650 cm-1 (frequency raised)2. C-H deformation vibration: CH wagging, 840-790 cm-1

3. C-H stretching vibration: CH stretching, near 3000 cm-1

1.2- disubstituted endocyclic C=C

1. C=C stretching vibration: C=C stretching, 1690-1670 cm-1 (4, 5, and 6 membered rings)

Exocyclic C=CH2

Exocyclic C=CH2 corresponds to the asymmetrically disubstituted C=C of acyclic alkenes(vinylidine).

1. C=C stretching,1678-1650 cm-1 (4, 5, and 6 membered rings)2. C-H deformation vibration: =CH2 wagging, 895-885 cm-1

3. C-H stretching vibration: =CH2 stretching, near 3050 cm-1

NOTES: The C=C stretching frequency of both the endocyclic HC=CH and the exocyclic C=CH2 is sensitive to ring strain. As the ring size decreases from 6 to 4 members, the C=C stretching frequency of the endocyclic HC=CH is lowered. However, for the C=C stretching frequency of exocyclic C=CH2, a gradual increase in the C=C stretching frequency occurs as the ring gets smaller. Substitution of methyl groups for the hydrogens of the endocyclic HC=CH and the exocyclic C=CH2 cause an increase in the C=C stretching frequency.

When two or more C=C groups occur in the hydrocarbon molecule, the infrared absorption spectrum shows the additive and combined absorption effects of the unsaturated groups. If such groups are subject to conjugation, the C=C stretching frequency is lowered and a splitting of the C=C stretching frequency band occurs.

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Alkynes

Monosubstituted Alkynes (RC≡CH)

1. C≡C stretching vibration: C≡C stretching, 2140-2100 cm-1

2. C-H stretching vibration: ≡CH bending, ca 3300 cm-1

3. C-H deformation vibration: ≡CH bending, 642-615 cm-1

4. C-H deformation vibration overtone: overtone of ≡CH deformation, 1260-1245 cm-1

Disubstituted Alkynes (RC≡CR')

1. C≡C stretching vibration: C≡C stretching, 2260-2190 cm-1 (unconjugated)

NOTES: Although the intensity of the absorption band caused by the C≡C stretching vibration is variable, it is strongest when the alkyne group is monosubstituted. When this group is disubstituted in open chain compounds, the intensity of the C≡C stretching vibration band diminishes as its position in the molecule tends to establish a pseudo center of symmetry. In some instances this band is too weak to be detected and, thus, its absence in the spectrum does not, necessarily, establish proof of the absence of this linkage.

Occasionally, the spectra of disubstituted alkynes show two or more bands at the C≡C stretching region.

Conjugation with olefinic double bonds or aromatic rings tend to slightly increase the intensity of the C≡C stretching vibration band and shift it to a lower frequency.

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Monocyclic Aromatic

Benzene

1. C-C stretching vibration: C-C stretching, 1485 cm-1

2. C-H deformation vibration of ring hydrogens: ring CH wagging, 670 cm-1 (6 adjacent hydrogens)3. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1

(3 bands one of which is a fundamental vibration)4. C-H deformation vibration of ring hydrogens: CH in-plane deformation, 1037 cm-1

Monosubstituted Benzene

1. C-C stretching vibration: C-C stretching, ca 1600 cm-1and 1590 cm-1 (weak shoulder band) ca 1500 cm-1and 1450 cm-1 (coalesces with CH3 and CH2 asymmetric bending of alkyl substituents)2. C-H deformation vibration of ring hydrogens: ring CH wagging, 770-730 cm-1 (5 adjacent hydrogens)3. Ring deformation vibration: ring deformation, 710- 695 cm-1

4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000 -1660 cm-1

(characteristic pattern)5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1 (3-5 bands)

Disubstituted Benzene

1. C-C stretching vibration: 1,2-disubstituted, C-C stretching, ca 1609 cm-1 and 1575 cm-1 (weak) ca 1490 cm-1 and 1445 cm-1 * 1,3-disubstituted, C-C stretching, ca 1610 cm-1 and 1590 cm-1 (weak) ca 1500 cm-1 and 1447 cm-1 * 1,4-disubstituted, C-C stretching, ca 1620 cm-1 and 1571 cm-1

(weak) ca 1512 cm-1 and 1450 cm-1 * * Generally overlaps the band due to CH3 and CH2 asymmetric bending vibration.2. C-H deformation vibration of ring hydrogens: 1,2-disubstituted, CH wagging, 770-730 cm-1 (4 adjacent hydrogens) 1,3-disubstituted, CH wagging, 810-750 cm-1 (3 adjacent hydrogens) 900-860 cm-1 (isolated hydrogen) 1,4-disubstituted, CH wagging, 860- 800 cm-1 (2 adjacent hydrogens)3. Ring deformation vibration: 1,2-disubstituted, ring deformation, 730-690 cm-1 * 1,3-disubstituted, ring deformation, 710-690 cm-1 1,4-disubstituted, ring deformation, 730-690 cm-1 * *Only present, as a weak band, when the two substituents are different.4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000 - 1660 cm-1 * * Each type of substitution has a unique pattern of bands.5. C-H stretching vibration of ring hydrogens:

Coming Soon!


CH stretching, 3100-3000 cm-1 (3-5 bands)

Trisubstituted Benzene

1. C-C stretching vibration: 1,2,3-trisubstituted, C-C stretching, generally 4 bands in the range, 1,2,4-trisubstituted, C-C stretching, 1650-1450 cm-1, with the main bands 1,3,5-trisubstituted, C-C stretching, occurring ca 1600 and 1500 cm-1

2. C-H deformation vibration of ring hydrogens: 1,2,3-trisubstituted, CH wagging, 810-750 cm-1 (3 adjacent hydrogens) 1,2,4-trisubstituted, CH wagging, 860-800 cm-1 (2 adjacent hydrogens) 885-860 cm-1 (isolated hydrogen) 1,3,5-trisubstituted, CH wagging, 874-835 cm-1 (isolated hydrogen)3. Ring deformation vibration: 1,2,3-trisubstituted, ring deformation, 725-680 cm-1 1,2,4-trisubstituted, ring deformation, 750-700 cm-1 (very weak or none) 1,3,5-trisubstituted, ring deformation, 730-675 cm-1

4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000-1660 cm-1 * * Each type of substitution has an unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1

Tetrasubstituted Benzene

1. C-C stretching vibration: 1,2,3,4-tetrasubstituted, C-C stretching, main bands ca 1600 and 1500 cm-1

1,2,3,5-tetrasubstituted, C-C stretching, main bands ca 1600 and 1500 cm-1


2. C-H deformation of ring hydrogens: 1,2,3,4-tetrasubstituted, CH wagging, 860-800 cm-1 (2 adjacent hydrogens) 1,2,3,5-tetrasubstituted, CH wagging, 865-810 cm-1 (isolated hydrogen) 1,2,4,5-tetrasubstituted, CH wagging, 860-800 cm-1 (isolated hydrogen)3. Ring deformation vibration: 1,2,3,4-tetrasubstituted, ring deformation, no band (750-675 cm-1) 1,2,3,5-tetrasubstituted, ring deformation, 730-675 cm-1 1,2,4,5-tetrasubstituted, ring deformation, no band (750-675 cm-1)4. Overtone and combination of CH deformation vibrations: overtone and combination bands of CH wagging, 2000-1600 cm-1 * * Each type of substitution has an unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1 (usually 1 band ca 3000 cm-1)

Pentasubstituted Benzene

1. C-C stretching vibration: C-C stretching, near 1600 and 1500 cm-1

2. C-H deformation of ring hydrogens: CH wagging, ca 860 cm-1 3. Ring deformation vibration: ring deformation, 710-695 cm-1 (weak)4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging 2000-1600 cm-1 * * Unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, ca 3000 cm-1

NOTES: Absorption bands occurring in the region of 1620-1450 cm-1 of the spectra of substituted benzenes are subject to small changes in location and significant changes in intensity. Two of the actors that contribute to these changes are molecular symmetry and ring substituents that have a strong electrometric effect.

When a substituent of a substituted benzene contains a double bond linkage or a lone electron pair (as in the instance of a halogen) that is conjugated with the benzene ring, the absorption bands related to the substituted benzene (see previously listed data) are altered. Generally, the absorption occurring in the region of 1620-1540 cm-1 is resolved as a distinct doublet with an appreciable enhancement of the band near 1580 cm-1.

In the majority of cases of conjugation involving the ring and a C=O linkage or a nitro group, the C-H deformation vibration of ring hydrogens are also disturbed. As a consequence, the previously assigned correlation and absorption band locations due to ring CH wag at the region of 900-690 cm-1 lose their diagnostic value. Those absorption bands which occur in this region of the spectra of such conjugated benzenes are of doubtful value for indicating a particular pattern of ring substitution.





Monocyclic and Polycyclic Aromatics

Benzene

1. C-C stretching vibration: C-C stretching, 1485 cm-1

2. C-H deformation vibration of ring hydrogens: ring CH wagging, 670 cm-1 (6 adjacent hydrogens)3. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1

(3 bands one of which is a fundamental vibration)4. C-H deformation vibration of ring hydrogens: CH in-plane deformation, 1037 cm-1

Monosubstituted Benzene

1. C-C stretching vibration: C-C stretching, ca 1600 cm-1and 1590 cm-1 (weak shoulder band) ca 1500 cm-1and 1450 cm-1 (coalesces with CH3 and CH2 asymmetric bending of alkyl substituents)2. C-H deformation vibration of ring hydrogens: ring CH wagging, 770-730 cm-1 (5 adjacent hydrogens)3. Ring deformation vibration: ring deformation, 710- 695 cm-1

4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000 -1660 cm-1

(characteristic pattern)5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1 (3-5 bands)

Disubstituted Benzene

1. C-C stretching vibration: 1,2-disubstituted, C-C stretching, ca 1609 cm-1 and 1575 cm-1 (weak) ca 1490 cm-1 and 1445 cm-1 * 1,3-disubstituted, C-C stretching, ca 1610 cm-1 and 1590 cm-1 (weak) ca 1500 cm-1 and 1447 cm-1 * 1,4-disubstituted, C-C stretching, ca 1620 cm-1 and 1571 cm-1

(weak) ca 1512 cm-1 and 1450 cm-1 * * Generally overlaps the band due to CH3 and CH2 asymmetric bending vibration.2. C-H deformation vibration of ring hydrogens: 1,2-disubstituted, CH wagging, 770-730 cm-1 (4 adjacent hydrogens) 1,3-disubstituted, CH wagging, 810-750 cm-1 (3 adjacent hydrogens) 900-860 cm-1 (isolated hydrogen) 1,4-disubstituted, CH wagging, 860- 800 cm-1 (2 adjacent hydrogens)3. Ring deformation vibration: 1,2-disubstituted, ring deformation, 730-690 cm-1 * 1,3-disubstituted, ring deformation, 710-690 cm-1 1,4-disubstituted, ring deformation, 730-690 cm-1 * *Only present, as a weak band, when the two substituents are different.4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000 - 1660 cm-1 * * Each type of substitution has a unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1 (3-5 bands)

Coming Soon!


Trisubstituted Benzene

1. C-C stretching vibration: 1,2,3-trisubstituted, C-C stretching, generally 4 bands in the range, 1,2,4-trisubstituted, C-C stretching, 1650-1450 cm-1, with the main bands 1,3,5-trisubstituted, C-C stretching, occurring ca 1600 and 1500 cm-1

2. C-H deformation vibration of ring hydrogens: 1,2,3-trisubstituted, CH wagging, 810-750 cm-1 (3 adjacent hydrogens) 1,2,4-trisubstituted, CH wagging, 860-800 cm-1 (2 adjacent hydrogens) 885-860 cm-1 (isolated hydrogen) 1,3,5-trisubstituted, CH wagging, 874-835 cm-1 (isolated hydrogen)3. Ring deformation vibration: 1,2,3-trisubstituted, ring deformation, 725-680 cm-1 1,2,4-trisubstituted, ring deformation, 750-700 cm-1 (very weak or none) 1,3,5-trisubstituted, ring deformation, 730-675 cm-1

4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging, 2000-1660 cm-1 * * Each type of substitution has an unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1

Tetrasubstituted Benzene

1. C-C stretching vibration: 1,2,3,4-tetrasubstituted, C-C stretching, main bands ca 1600 and 1500 cm-1



2. C-H deformation of ring hydrogens: 1,2,3,4-tetrasubstituted, CH wagging, 860-800 cm-1 (2 adjacent hydrogens) 1,2,3,5-tetrasubstituted, CH wagging, 865-810 cm-1 (isolated hydrogen) 1,2,4,5-tetrasubstituted, CH wagging, 860-800 cm-1 (isolated hydrogen)3. Ring deformation vibration: 1,2,3,4-tetrasubstituted, ring deformation, no band (750-675 cm-1) 1,2,3,5-tetrasubstituted, ring deformation, 730-675 cm-1 1,2,4,5-tetrasubstituted, ring deformation, no band (750-675 cm-1)4. Overtone and combination of CH deformation vibrations: overtone and combination bands of CH wagging, 2000-1600 cm-1 * * Each type of substitution has an unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, 3100-3000 cm-1 (usually 1 band ca 3000 cm-1)

Pentasubstituted Benzene

1. C-C stretching vibration: C-C stretching, near 1600 and 1500 cm-1

2. C-H deformation of ring hydrogens: CH wagging, ca 860 cm-1 3. Ring deformation vibration: ring deformation, 710-695 cm-1 (weak)4. Overtone and combination bands of CH deformation vibrations: overtone and combination bands of CH wagging 2000-1600 cm-1 * * Unique pattern of bands.5. C-H stretching vibration of ring hydrogens: CH stretching, ca 3000 cm-1

NOTES: Absorption bands occurring in the region of 1620-1450 cm-1 of the spectra of substituted benzenes are subject to small changes in location and significant changes in intensity. Two of the actors that contribute to these changes are molecular symmetry and ring substituents that have a strong electrometric effect.

When a substituent of a substituted benzene contains a double bond linkage or a lone electron pair (as in the instance of a halogen) that is conjugated with the benzene ring, the absorption bands related to the substituted benzene (see previously listed data) are altered. Generally, the absorption

occurring in the region of 1620-1540 cm-1 is resolved as a distinct doublet with an appreciable enhancement of the band near 1580 cm-1.

In the majority of cases of conjugation involving the ring and a C=O linkage or a nitro group, the C-H deformation vibration of ring hydrogens are also disturbed. As a consequence, the previously assigned correlation and absorption band locations due to ring CH wag at the region of 900-690 cm-1 lose their diagnostic value. Those absorption bands which occur in this region of the spectra of such conjugated benzenes are of doubtful value for indicating a particular pattern of ring substitution.




Halogenated Hydrocarbons

Fluorinated

Fluorinated Aliphatic Hydrocarbons

1. C-F stretching vibration: C-F stretching, (range) 1400-1000 cm-1 (intense absorption) C-F stretching, 1100-1000 cm-1

C-F stretching, (polyfluorinated) 1400-1000 cm-1 (two or more bands)

Fluorinated Aromatic Hydrocarbons

1. C-F stretching vibration: C-F stretching, (usually) 1300-1200 cm-1 (intense absorption)

General Note on Halogenated Hydrocarbons

The detection of carbon to halogen bonds is not readily accomplished through the examination of the infrared absorption spectra of this class of compounds. The difficulty of locating and recognizing absorption bands that arise from the C-X bonds is attributed to the following factors:

1. A variety of C-X bonds exist.

2. The C-X bonds are subject to appreciable alteration in vibrational frequency through interaction with neighboring groups.

3. Different conformational isomers have different stretching frequencies.

4. Equatorial and axial C-X bonds of ring structures have different stretching frequencies.

5. Multiple absorption bands related to the C-X bonds usually occur in the infrared spectrum.As a consequence of these factors, the C-X bonds do not always possess a constant vibrational frequency nor do they always have unique absorption band features.

A more reliable means of detecting and identifying halogen substituents consists of procedures for elemental analysis. Whenever feasible, the sample should be examined by these procedures prior to its examination by infrared spectroscopy. A knowledge of the kind of halogen present in the sample simplifies locating and identifying those absorption bands that are related to the C-X bond.

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Fluorinated

Fluorinated Aliphatic Hydrocarbons

1. C-F stretching vibration: C-F stretching, (range) 1400-1000 cm-1 (intense absorption) C-F stretching, 1100-1000 cm-1

C-F stretching, (polyfluorinated) 1400-1000 cm-1 (two or more bands)

Fluorinated Aromatic Hydrocarbons

1. C-F stretching vibration: C-F stretching, (usually) 1300-1200 cm-1 (intense absorption)









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Chlorinated

Chlorinated Aliphatic Hydrocarbons

1. C-Cl stretching vibration: C-CI stretching, (range) 800-600 cm-1 (intense absorption) C-Cl stretching, (liquid consisting of more than one conformational isomer) 800-600 cm-1 (intense absorption) C-Cl stretching, (trans isomer) 750-700 cm-1 C-Cl stretching, (gauche isomer) near 650 cm-1

C-Cl stretching, (cyclohexane rings); equatorial 800-700 cm-1 axial 710-650 cm-1

Chlorinated Aromatic Hydrocarbons 1. C-Cl stretching vibration C-Cl stretching, near 1050 cm-1 (questionable)2. Cl sensitive vibrational modes 1200-1000 cm-1 (strong multiple bands) General Note on Halogenated Hydrocarbons The detection of carbon to halogen bonds is not readily accomplished through the examination of the infrared absorption spectra of this class of compounds. The difficulty of locating and recognizing absorption bands that arise from the C-X bonds is attributed to the following factors: 1. A variety of C-X bonds exist. 2. The C-X bonds are subject to appreciable alteration in vibrational frequency through interaction with neighboring groups. 3. Different conformational isomers have different stretching frequencies. 4. Equatorial and axial C-X bonds of ring structures have different stretching frequencies. 5. Multiple absorption bands related to the C-X bonds usually occur in the infrared spectrum. As a consequence of these factors, the C-X bonds do not always possess a constant vibrational frequency nor do they always have unique absorption band features. A more reliable means of detecting and identifying halogen substituents consists of procedures for elemental analysis. Whenever feasible, the sample should be examined by these procedures prior to its examination by infrared spectroscopy. A knowledge of the kind of halogen present in the sample simplifies locating and identifying those absorption bands that are related to the C-X bond.

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http://www.knowitall.com/handbook/ir/chlorinated_hydrocarbons/aliphatic/art_aliphatic.html

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Chlorinated





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Chlorinated





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Brominated

Brominated Aliphatic Hydrocarbons

1. C-Br stretching vibration: C-Br stretching, (range) 700-500 cm-1 (intense absorption) C-Br stretching, (liquid consisting of more than one conformations) 700-500 cm-1 (strong multiple bands) C-Br stretching, (trans isomer) near 650 cm-1

C-Br stretching, (gauche isomer) near 650 cm-1

C-Br stretching, (cyclohexane rings) equatorial near 700 cm-1

axial near 650 cm-1

Brominated Aromatic Hydrocarbons

1. C-Br stretching vibration:

C-Br stretching, ca 1050 cm-1 (questionable)

2. Br sensitive vibrational modes 1200-1000 cm-1 (strong multiple bands)

(same as chlorinated aromatic hydrocarbons)








A more reliable means of detecting and identifying halogen substituents consists of procedures for elemental analysis. Whenever feasible, the sample should be examined by these procedures prior to its examination by infrared spectroscopy.

Coming Soon!


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http://www.knowitall.com/handbook/ir/brominated_hydrocarbons/aliphatic/art_aliphaticbrom.html

http://www.knowitall.com/handbook/ir/brominated_hydrocarbons/aromatic/art_aromaticbrom.html

A knowledge of the kind of halogen present in the sample simplifies locating and identifying those absorption bands that are related to the C-X bond.





Brominated





axial near 650 cm-1














Coming Soon!


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Brominated





axial near 650 cm-1













A more reliable means of detecting and identifying halogen substituents consists of procedures for elemental analysis. Whenever feasible, the sample should be examined by these procedures prior to its examination by infrared spectroscopy.

Coming Soon!


here.



A knowledge of the kind of halogen present in the sample simplifies locating and identifying those absorption bands that are related to the C-X bond.





Iodinated

Iodinated Aliphatic Hydrocarbons

1. C-l stretching vibration: C-I stretching, (range) 620-490 cm-1(intense absorption) C-I stretching, (liquid consisting of more than one conformational isomer) 620-490 cm-1(strong multiple bands) C-I stretching, (trans isomer) near 600 cm-1

C-I stretching, (gauche isomer) near 500 cm-1

lodinated Aromatic Hydrocarbons

1. I sensitive vibrational modes 1200-1000 cm-1

(same as chlorinated and brominated aromatic hydrocarbons)









Coming Soon!


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Iodinated

Iodinated Aliphatic Hydrocarbons

1. C-l stretching vibration: C-I stretching, (range) 620-490 cm-1(intense absorption) C-I stretching, (liquid consisting of more than one conformational isomer) 620-490 cm-1(strong multiple bands) C-I stretching, (trans isomer) near 600 cm-1

C-I stretching, (gauche isomer) near 500 cm-1

lodinated Aromatic Hydrocarbons

1. I sensitive vibrational modes 1200-1000 cm-1

(same as chlorinated and brominated aromatic hydrocarbons)









Coming Soon!


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Primary Amines

Aliphatic Primary Amines

1. N-H stretching vibration: NH2 asymmetric stretching, ca 3500 cm-1

NH2 symmetric stretching, ca 3400 cm-1

2. N-H deformation vibration, in-plane: NH2 in-plane deformation, 1650-1590 cm-1 (broad medium strong)3. N-H deformation vibration, out of plane: NH2 out-of-plane deformation, 900-650 cm-1 (broad strong)4. C-N stretching vibration: C-N stretching, 1220-1020 cm-1

Aromatic Primary Amines, N atom attached to C atom of side chain

Absorption features are the same as those listed for primary amines, but overlay the absorption features of the aromatic ring.

Aromatic Primary Amines, N atom attached to C atom of aromatic ring

1. N-H stretching vibration: NH2 asymmetric stretching, ca 3500 cm-1 NH2 symmetric stretching, ca 3400 cm-1 2. N-H deformation vibration, in-plane: NH2 in-plane deformation, 1650-1590 cm-1

(in many instances, very strong and characteristic of N atom attached to C atom of aromatic ring)3. N-H deformation vibration, out-of-plane: NH2 out-of-plane deformation, 900-650 cm-1 (usually masked by absorption features of aromatic ring)4. C-N stretching vibration: C-N stretching, 1340-1250 cm-1

Coming Soon!


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Primary Amines

Aliphatic Primary Amines

1. N-H stretching vibration: NH2 asymmetric stretching, ca 3500 cm-1

NH2 symmetric stretching, ca 3400 cm-1

2. N-H deformation vibration, in-plane: NH2 in-plane deformation, 1650-1590 cm-1 (broad medium strong)3. N-H deformation vibration, out of plane: NH2 out-of-plane deformation, 900-650 cm-1 (broad strong)4. C-N stretching vibration: C-N stretching, 1220-1020 cm-1

Aromatic Primary Amines, N atom attached to C atom of side chain

Absorption features are the same as those listed for primary amines, but overlay the absorption features of the aromatic ring.

Aromatic Primary Amines, N atom attached to C atom of aromatic ring

1. N-H stretching vibration: NH2 asymmetric stretching, ca 3500 cm-1 NH2 symmetric stretching, ca 3400 cm-1 2. N-H deformation vibration, in-plane: NH2 in-plane deformation, 1650-1590 cm-1

(in many instances, very strong and characteristic of N atom attached to C atom of aromatic ring)3. N-H deformation vibration, out-of-plane: NH2 out-of-plane deformation, 900-650 cm-1 (usually masked by absorption features of aromatic ring)4. C-N stretching vibration: C-N stretching, 1340-1250 cm-1

Coming Soon!


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Secondary Aliphatic Amines

Aliphatic Amines

1. N-H stretching vibration: NH stretching, near 3300 cm-1

(very weak and not easy to detect)2. N-H deformation vibration, in-plane: NH in-plane deformation, 1650-1550 cm-1 (very weak and difficult to detect)3. N-H deformation vibration, out-of-plane: NH out-of-plane deformation, 900-650 cm-1

(broad, medium strong)4. C-N stretching vibration: C-N stretching,1220-1020 cm-1 5. C-H stretching vibration-CH2-NH-CH2- or -CH2-NH-CH3: C-H stretching, ca 2800 cm-1

Aromatic Secondary Amines, N atom attached to C atom of side chain

Absorption features are the same as those listed for secondary amines, but overlay the absorption features of the aromatic ring.

Aromatic Secondary Amines, N atom attached to C atom of aromatic ring

1. N-H stretching vibration: N-H stretching, near 3400 cm-1 (stronger than that of aliphatic secondary amines)2. N-H deformation vibration, in-plane: N-H in-plane deformation, ca 1600 cm-1

(in many instances, very strong and characteristic of N atom attached to C atom of aromatic ring)3. N-H deformation vibration, out-of-plane: N-H out-of-plane deformation, 900- 600 cm-1 (usually masked by absorption features of aromatic ring)4. C-N stretching vibration: Aryl C-N stretching, 1350-1280 cm-1

5. C-N stretching vibration: Alkyl C-N stretching, 1280-1230 cm-1

6. C-H stretching vibration of –N-CH3 │ C-H stretching, ca 2800 cm-1

Coming Soon!



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Secondary Aromatic Amines

Aliphatic Amines


(very weak and not easy to detect)2. N-H deformation vibration, in-plane: NH in-plane deformation, 1650-1550 cm-1 (very weak and difficult to detect)3. N-H deformation vibration, out-of-plane: NH out-of-plane deformation, 900-650 cm-1

(broad, medium strong)4. C-N stretching vibration: C-N stretching,1220-1020 cm-1 5. C-H stretching vibration-CH2-NH-CH2- or -CH2-NH-CH3: C-H stretching, ca 2800 cm-1

Aromatic Secondary Amines, N atom attached to C atom of side chain

Absorption features are the same as those listed for secondary amines, but overlay the absorption features of the aromatic ring.

Aromatic Secondary Amines, N atom attached to C atom of aromatic ring

1. N-H stretching vibration: N-H stretching, near 3400 cm-1 (stronger than that of aliphatic secondary amines)2. N-H deformation vibration, in-plane: N-H in-plane deformation, ca 1600 cm-1

(in many instances, very strong and characteristic of N atom attached to C atom of aromatic ring)3. N-H deformation vibration, out-of-plane: N-H out-of-plane deformation, 900- 600 cm-1 (usually masked by absorption features of aromatic ring)4. C-N stretching vibration: Aryl C-N stretching, 1350-1280 cm-1


6. C-H stretching vibration of –N-CH3 │ C-H stretching, ca 2800 cm-1

Coming Soon!



http://www.knowitall.com/handbook/ir/amines/secondary/aliphatic/art_aliphatic.html





Tertiary Amines

Aliphatic Tertiary Amines

1. C-H stretching vibration of (-CH2)3N, (-CH2)2N-CH3, and -CH2N(CH3)2 C-H stretching, ca 2800 cm-1

2. C-N stretching vibration: C-N stretching, 1230-1150 cm-1


Aromatic Tertiary Amines, N atom attached to C atom of side chain

1. C-H stretching vibration of-N-CH2- and -N(CH3)2 │ CH3 C-H stretching, ca 2800 cm-1

2. C-N stretching vibration: Aryl C-N stretching, 1360-1310 cm-1


Coming Soon!



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Tertiary Amines

Aliphatic Tertiary Amines

1. C-H stretching vibration of (-CH2)3N, (-CH2)2N-CH3, and -CH2N(CH3)2 C-H stretching, ca 2800 cm-1



Aromatic Tertiary Amines. N atom attached to C atom of side chain

1. C-H stretching vibration of-N-CH2- and -N(CH3)2 │ CH3 C-H stretching, ca 2800 cm-1

2. C-N stretching vibration: Aryl C-N stretching, 1360-1310 cm-1


Coming Soon!


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Pyridines

1. C=C and C=N stretching vibration: C=C and C=N stretching, 1660-1590 cm-1 (usually a doublet) near 1500 cm-1 2. C-H deformation vibration of adjacent ring H’s: ring CH deformation, unsubstituted 746 cm-1

2-monosubstituted, 780-740 cm-1



2,3-disubstituted, 800-787 cm-1

2,4-disubstituted, 813 cm-1



2,4,6-trisubstituted, 833-813 cm-1

3. Ring deformation vibration: ring deformation, unsubstituted, 700 cm-1

2-monosubstituted, 730 cm-1







2,4,6-trisubstituted, -------------4. C-H stretching vibration: C-H stretching, near 3020 cm-1

Coming Soon!


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Pyridines and Quinolines

1. C=C and C=N stretching vibration: C=C and C=N stretching, 1660-1590 cm-1 (usually a doublet) near 1500 cm-1 2. C-H deformation vibration of adjacent ring H’s: ring CH deformation, unsubstituted 746 cm-1








2,4,6-trisubstituted, 833-813 cm-1

3. Ring deformation vibration: ring deformation, unsubstituted, 700 cm-1








2,4,6-trisubstituted, -------------4. C-H stretching vibration: C-H stretching, near 3020 cm-1

Coming Soon!


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Miscellaneous Nitrogen Heteroaromatics

1. C=C and C=N stretching vibrations2. C-H deformation vibration of adjacent ring H’s3. Ring deformation vibration4. C-H stretching vibration

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Hydrazines

Similar to those of corresponding amines

1. N-H stretching vibrations: N-H stretching, near 3300 cm-1

2. N-H deformation vibrations: N-H in-plane deformation, near 1600 cm-1

N-H out-of-plane deformation, near 800 cm-1

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Amine Salts

Primary Amine Salts

1. NH3+ stretching vibration: NH3+ asymmetric, symmetric stretching, 3200-2800 cm-1 (strong, broad absorption)2. NH3+ deformation NH3+ asymmetric deformation, 1625-1560 cm-1

NH3+ symmetric deformation, 1550-1505 cm-1

3. Combination bands of NH3+ deformation vibration: NH3+ combination bands, 2800 - 2400 cm-1

(sharp, weak absorption)

Secondary Amine Salts

1. NH2+ stretching vibration: NH2+ asymmetric, symmetric stretching, 3000-2700 cm-1

(sharp, weak absorption)2. NH2+ deformation vibration: NH2+ deformation, 1620-1560 cm-1

3. Combination bands of NH2+ deformation vibration: NH2+ combination bands, 2700 - 2300 cm-1

Tertiary Amine Salts

1. NH+ stretching vibration: NH+ stretching, 2700 - 2330 cm-1 (several bands)

Quaternary Amine Salts

No characteristic absorption bands.

Coming Soon!





Oximes

Oximes

1. C=N stretching vibration: C=N stretching, 1690-1620 cm-1

(weak to medium strong absorption)2. O-H stretching vibration (H-bonded): O-H stretching, 3300-3150 cm-1

(broad, strong absorption)3. N-O stretching vibration: N-O stretching, near 930 cm-1

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Hydrazones

Oximes




Hydrazones (-CH=N-N)


(medium to strong absorption)

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Azines

Oximes




Azines (-CH=N-N=CH-)



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Amidines

Oximes




Amidines (-NH-C=N-)



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Hydroxamic Acids

Oximes




Hydroxamic Acids



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AZO Compounds

The absorption arising from the N=N stretching vibration of aromatic azo compounds is weak and occurs at the same region as the absorption arising from aromatic ring vibrations and the absorption arising from the deformation vibration of akyl substituents.

Because of coupling or overlapping of such absorption bands, the detection of absorption due, specifically, to N=N linkage is difficult and questionable. Other methods of examination such as Raman

spectroscopy (region of 1550- 1400 cm-1

) afford more precise information concerning the presence of this linkage.

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Triazenes

AZO Compounds

The absorption arising from the N=N stretching vibration of aromatic azo compounds is weak and occurs at the same region as the absorption arising from aromatic ring vibrations and the absorption arising from the deformation vibration of akyl substituents.

Because of coupling or overlapping of such absorption bands, the detection of absorption due, specifically, to N=N linkage is difficult and questionable. Other methods of examination such as Raman spectroscopy (region of 1550- 1400 cm-1) afford more precise information concerning the presence of this linkage.

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Cumulative Double Bonds- Isocyanates

Isocyanates

1. N=C=O stretching vibration: N=C=O stretching, 2275-2265 cm-1 (very strong absorption)

Carbodiimides

1. N=C=N stretching vibration: N=C=N stretching, 2170-2100 cm-1

(very strong, sharp)

Isothiocyanates

1. N=C=S stretching vibration: N=C=S stretching, 2150-2020 cm-1

(very strong, usually split or with shoulders)Coming Soon!


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Cumulative Double Bonds - Carbodiimides

Isocyanates1. N=C=O stretching vibration: N=C=O stretching, 2275-2265 cm-1 (very strong absorption)

Carbodiimides



Isothiocyanates


(very strong, usually split or with shoulders)

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Cumulative Double Bonds - Isothiocyanates

Isocyanates

1. N=C=O stretching vibration: N=C=O stretching, 2275-2265 cm-1 (very strong absorption)

Carbodiimides



Isothiocyanates


(very strong, usually split or with shoulders)Coming Soon!


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Nitriles

1. C≡N stretching vibration: C≡N stretching, (saturated aliphatic nitriles), 2260-2240 cm-1

(weak to strong, sharp)

Conjugation of C≡N with olefinic C=C and aromatic ring C=C slightly lowers the frequency and band location of the C≡N stretching vibration. This effect is accompanied by an increase in the intensity of the C≡N absorption band.

Coming Soon!


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Nitriles




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Nitriles




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Cyanamides

Cyanamides

1. C≡N stretching vibration: C≡N stretching, 2225-2210 cm-1 (sharp, very strong absorption)

Isocyanides

1. -N≡C stretching vibration: -N≡C stretching, 2160-2110 cm-1

(sharp, strong absorption)

Thiocyanates (-S-C≡N)

1. –S-C≡N stretching vibration: -S-C≡N stretching, 2160-2140 cm-1

(sharp, very strong absorption) Coming Soon!


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Thiocyanates

Cyanamides

1. C≡N stretching vibration: C≡N stretching, 2225-2210 cm-1 (sharp, very strong absorption)

Isocyanides

1. -N≡C stretching vibration: -N≡C stretching, 2160-2110 cm-1

(sharp, strong absorption)

Thiocyanates (-S-C≡N)

1. –S-C≡N stretching vibration: -S-C≡N stretching, 2160-2140 cm-1

(sharp, very strong absorption) Coming Soon!


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Nitroso, N-Nitroso and Nitrite Compounds

1. N=O stretching vibration: C-N=O N=O stretching (aliphatic monomer), 1621-1539 cm-1

N=O stretching (aromatic monomer), 1513-1488 cm-1

N=O stretching (aliphatic dimer) trans, 1290-1176 cm-1

cis, 1420 -1330 and 1344 -1323 cm-1

N=O stretching (aromatic dimer) trans,1299 -1253 cm-1

cis ,1409 and 1397 -1389 cm-1

N-N=O N=O stretching, near 1448 cm-1 (strong, slightly broadened)2. C-N or N-N stretching vibration: C-N stretching, near 1100 cm-1

N-N stretching, 1065-1015 cm-1

Nitrites (-O-N=O)

1. N=O stretching vibration: N=O stretching, 1650-1620 cm-1


Coming Soon!


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cis, 1420 -1330 and 1344 -1323 cm-1


cis ,1409 and 1397 -1389 cm-1

N-N=O N=O stretching, near 1448 cm-1 (strong, slightly broadened)2. C-N or N-N stretching vibration: C-N stretching, near 1100 cm-1


Nitrites (-O-N=O)



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cis, 1420 -1330 and 1344 -1323 cm-1


cis ,1409 and 1397 -1389 cm-1

N-N=O N=O stretching, near 1448 cm-

1 (strong, slightly broadened)2. C-N or N-N stretching vibration: C-N stretching, near 1100 cm-1


Nitrites (-O-N=O)



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Nitro Compounds

Aliphatic

1. C-NO2 asymmetric stretching vibration: NO2 asymmetric stretching, 1590-1530 cm-1 (strong)2. C-NO2 symmetric stretching vibration: NO2 symmetric stretching, 1390-1350 cm-1

(weaker than asymmetric stretching)

Aromatic

3. Ar-NO2 asymmetric stretching vibrations: NO2 asymmetric stretching, 1530-1510 cm-1 (strong)4. Ar-NO2 symmetric stretching vibration: NO2 symmetric stretching, 1350-1330 cm-1

N-Nitro Compounds

1. NO2 symmetric and asymmetric (similar to aliphatic nitro compounds with addition of a third strong band at 1240 cm-1)

Nitrate Compounds

1. O-NO2 asymmetric stretching vibration: NO2 asymmetric stretching, 1640-1610 cm-1

2. O-NO2 symmetric stretching vibration: NO2 symmetric stretching, 1290-1280 cm-1

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Nitro Compounds

Aliphatic



Aromatic


N-Nitro Compounds


Nitrate Compounds



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N-Nitro Compounds

Aliphatic - Nitro



Aromatic - Nitro


N-Nitro Compounds


Nitrate Compounds



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Silicon Compounds

1. Si-H stretching vibration: Si-H stretching, 2160-2120 cm-1

(strong, sharp)2. Si-CH3 asymmetric deformation vibration: Si-CH3 asymmetric deformation, 1420-1390 cm-1

(medium intensity)3. Si-CH3 symmetric deformation vibration: Si-CH3 symmetric deformation, 1260-1230 cm-1 (strong, sharp)4. Ar-Si aromatic silanes contain two sharp, strong bands of uncertain origin: 1430-1410 cm-1 and 1120-1100 cm-1

5. Si-C stretching vibration: Si-C stretching, 900-700 cm-1

(strong, broad)

Coming Soon!


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Phosphorus Compounds

1. P-CH2 deformation vibration: C-H deformation, 1440-1400 cm-1

(medium intensity, sharp absorption)2. P=O stretching vibration: P=O stretching, 1310-1240 cm-1 (sharp, strong absorption)

3. P+ -Ar, near 1110 cm-1 (strong, sharp absorption)

4. P+ -Ar, near 990 cm-1 (medium intensity, sharp absorption)

The spectra of other phosphorus containing functional groups may be found as follows:

P-O-C, see Ethers

(O=P)-O-C, see Esters

P-OH, see Alcohols

(O=P)-OH, see Acids

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Sulfides

1. CH2-S-C deformation vibration: CH2-S-C deformation, 1440-1415 cm-1

(medium intensity, sharp band)2. CH2-S- wagging vibration: CH2-S wagging, 1270-1220 cm-1

(medium to strong absorption)3. C-S stretching vibration: C-S stretching, 700-600 cm-1

(weak absorption band)4. CH3-S asymmetric deformation vibration: CH2-S- asymmetric deformation,1440-1415 cm-1

(medium intensity, sharp absorption)5. Ar-S- 1090 cm-1 (medium intensity, sharp absorption)6. S-S stretching vibration: S-S stretching, 500-400 cm-1 (very weak)

Coming Soon!





Sulfides






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Sulfides






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Disulfides






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Thiols

1. S-H stretching vibration: S-H stretching, 2600-2550 cm-1 (weak, broadened absorption band)


(medium intensity, sharp absorption)

3. CH2-S wagging vibration: CH2-S wagging, 1270-1220 cm-1

(medium to strong intensity)

4. C-S stretching vibration: C-S stretching, 700-600 cm-1

(weak intensity)

5. Ar-S,1100-1080 cm-1


Location and appearance of bands similar to sulfides, except with the addition of the –S-H stretching vibration near 2575 cm-1.

Coming Soon!


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Thiols

1. S-H stretching vibration: S-H stretching, 2600-2550 cm-1 (weak, broadened absorption band)



3. CH2-S wagging vibration: CH2-S wagging, 1270-1220 cm-1

(medium to strong intensity)

4. C-S stretching vibration: C-S stretching, 700-600 cm-1

(weak intensity)

5. Ar-S,1100-1080 cm-1


Location and appearance of bands similar to sulfides, except with the addition of the –S-H stretching vibration near 2575 cm-1.

Coming Soon!





Sulfoxides

Sulfoxides

1. S=O stretching vibration: S=O stretching, 1060-1020 cm-1

(strong absorption)

Sulfones

1. SO2 asymmetric stretching vibration: SO2 asymmetric stretching, 1350-1300 cm-1

(strong, may be split)2. SO2 symmetric stretching vibration: SO2 symmetric stretching, 1160 -1130 cm-1

(strong intensity, slightly broadened)

Sulfonyl Halides

1. F- SO2 asymmetric stretching vibration: SO2 asymmetric stretching, 1410-1390 cm-1

2. F- SO2 symmetric stretching vibration: SO2 symmetric stretching, 1220-1200 cm-1

3. F- SO2 stretching vibration: F-S stretching, 800 cm-1

(strong, broadened absorption band)4. Cl- SO2 asymmetric stretching vibration: SO2 asymmetric stretching, near 1335 cm-1

5. Cl -SO2 symmetric stretching vibration: SO2 symmetric stretching, near 1175 cm-1

Coming Soon!


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Sulfones

Sulfoxides


(strong absorption)

Sulfones




Sulfonyl Halides






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Sulfonyl Halides

Sulfoxides


(strong absorption)

Sulfones




Sulfonyl Halides






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Sulfonic Acids

Acids

1. HO-SO2- asymmetric stretching vibration: S=O asymmetric stretching, 1250-1150 cm-1

(intense and broadened)2. HO-SO2- symmetric stretching vibration: S=O symmetric stretching, 1100-1000 cm-1

(medium to strong intensity, sharp)

Salts

Similar band ranges for free sulfonic acids.1. HO-SO2- asymmetric stretching vibration: S=O asymmetric stretching, 1250-1150 cm-1



Sulfates

1. O-SO2-O asymmetric stretching vibration: S=O asymmetric stretching, 1440-1350 cm-1 (strong)2. O-SO2-O symmetric stretching vibration: S=O symmetric stretching,1230-1150 cm-1 (strong)3. C-O-SO2 stretching viibration: C-O-S stretching, 810-770 cm-1

(strong intensity, broad)

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Sulfonic Acid Salts

Acids




Salts




Sulfates



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Sulfonic Acid Esters

Acids




Salts




Sulfates



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Sulfuric Acid Esters

Acids




Salts

Similar band ranges noted above for free sulfonic acids.1. HO-SO2- asymmetric stretching vibration: S=O asymmetric stretching, 1250-1150 cm-1



Sulfates



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Thioamides

1. NH and NH2 stretching vibrations: NH stretching and NH2 stretching, 3360-3100 cm-1

2. NH deformation and C-N stretching combination band: NH deformation and C-N stretching,1650-1520 cm-1

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Thioureas

1. NH and NH2 stretching vibrations: NH stretching and NH2 stretching, 3360-3100 cm-1

2. NH deformation and C-N stretching combination band: NH deformation and C-N stretching,1650-1520 cm-1

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Sulfonamides

S=O stretching vibrations:1. S=O asymmetric stretching, 1350-1310 cm-1

(strong intensity)2. S=O symmetric stretching, 1180-1140 cm-1

(strong intensity)

In solution, these bands appear at slightly higher wavenumber regions.

Primary Sulfonamides

1. N-H stretching vibrations: NH2 asymmetric stretching, 3390-3330 cm-1

NH2 symmetric stretching, 3300-3245 cm-1

Secondary Sulfonamides

1. N-H stretching vibration: NH stretching, 3280-3250 cm-1 Coming Soon!


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Sulfamides

S=O stretching vibrations:1. S=O asymmetric stretching, 1350-1310 cm-1

(strong intensity)2. S=O symmetric stretching, 1180-1140 cm-1

(strong intensity)In solution, these bands appear at slightly higher wavenumber regions.

Primary Sulfonamides

1. N-H stretching vibrations: NH2 asymmetric stretching, 3390-3330 cm-1

NH2 symmetric stretching, 3300-3245 cm-1

Secondary Sulfonamides

1. N-H stretching vibration: NH stretching, 3280-3250 cm-1

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Ethers

Acetals, Furans, Peroxides, Silicon Ethers, Phosphorus Ethers

Aliphatic Ethers

1. C-O-C stretching vibration: -CH2-O-CH2- stretching, 1150-1060 cm-1

(strong absorption band) -CH-O-CH2- stretching, 1170-1070 cm-1 (strong multiple absorption bands) near 1010 cm-1 (strong absorption band) -C-O-CH2- stretching, near 1200 cm-1 (strong absorption band, some splitting) near 1100 cm-1 (1 or 2 strong absorption bands) -CH2=CH-O-CH2- stretching, 1225-1200 cm-1

(strong absorption band) -O-CH2-O- stretching, 1200-1100 cm-1

(strong multiple absorption bands)

Aromatic Ethers, oxygen atom attached to C atom of side chain.

1. C-O-C stretching vibration: -C-O-C stretching, same as for aliphatic ethers -CH2-O-CH2- stretching, 1150-1060 cm-1




Aromatic Ethers, oxygen atom attached to C atom of aromatic ring.

1. C-O-C stretching vibration: =C-O-C stretching, 1270-1230 cm-1 (strong absorption band) 1050-1010 cm-1 (medium strong absorption band)

Heterocyclic systems

Three membered rings

1. C-O-C stretching vibration: -C-O-C- symmetric stretching, near 1250 cm-1

(strong absorption band) near 830 cm-1 (medium strong absorption band)

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http://www.knowitall.com/handbook/ir/ethers/aromatic/art_aromatic.html

Four membered rings


(strong absorption band) -C-O-C- asymmetric stretching, near 980 cm-1

(strong absorption band)

Five membered rings

1. C-O-C stretching vibration: -C-O-C- asymmetric stretching, near 1050 cm-1

(strong absorption band) -C-O-C- symmetric stretching, near 900 cm-1


Larger rings

1. C-O-C stretching vibration: -C-O-C- stretching, near 1100 cm-1


In most instances, when used alone, strong absorption at the cited regions is considered to be related to the stretching vibration of only a C-O- link. Another absorption feature of the spectrum should be taken into consideration when using the C-O- absorption band as indicative of an ether group. For example, the absence of characteristic absorption features of those functional groups which contain the C-O- link (alcohol groups, ester groups, etc.) increases the probability of the C-O- absorption as indicative of an ether group.




Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Ethers


Aliphatic Ethers
















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Four membered rings




Five membered rings




Larger rings







Alcohols

Primary

1. O-H stretching vibration: O-H stretching (free), 3650-3590 cm-1

(sharp medium strong intensity) OH stretching (interrmolecular H-bonds, dimeric), near 3500 cm-1 (broad strong intensity) OH stretching (intermolecular H-bonds, polymeric), near 3320 cm-1 (broad strong intensity) OH stretching (intramolecular H-bonds, single bridge), 3570-3450 cm-1 (broad)2. C-OH stretching vibration: C-OH stretching, 1075-1000 cm-1

(limited diagnostic value)3. O-H deformation vibration: O-H in-plane deformation, near 1400 cm-1

(limited diagnostic value)

The absorption band location given for the C-OH stretching vibration of primary alcohols (1075-1000 cm-1) is not restricted to this class of alcohols alone. Some secondary alcohols, because of the environmentaleffect of neighboring structures on the -CHOH group, have a C-OH stretching vibration that cause absorption at the 1075 -1000 cm-1 region. As a consequence,the presence of a characteristic C-OH absorption band at the designated regionin the spectra of alcohols has doubtful diagnostic value. It is valid as an indication of a primary alcohol group only when it can be supported by additional structural information. (See secondary alcohols.)

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Alcohols

Primary






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Alcohols

Primary






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Alcohols

Primary






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Secondary Alcohols


(sharp medium strong intensity) O-H stretching (intermolecular H-bonds, dimeric), near 3500 cm-1

(broad strong intensity) O-H stretching (intermolecular H-bonds, polymeric, near 3320 cm-1

(broad strong intensity) O-H stretching (intramolecular H-bonds, single bridge), 3570-3450 cm-1 (broad)2. C-OH stretching vibration: Aliphatic saturated secondary alcohols C-OH stretching, 1125-1090 cm-1

Secondary alcohols having a C—OH stretching vibration that absorbs in the range cited for primary alcohols: alpha, beta- unsaturated secondary alcohols C-OH stretching, 1074-1012 cm-1

alpha-chloro or bromo secondary alcohols C-OH stretching, near 1050 cm-1

Aromatic secondary alcohols C-OH stretching, 1075- 1000 cm-1

Alicyclic secondary alcohols (5 membered ring and larger) C-OH stretching, 1090-1025 cm-1

C-OH stretching (equatorial), 1065-1037 cm-1

C-OH stretching (axial), 1036-970 cm-1

Sterols and steroids C-OH stretching, 1075-1000 cm-1

3. O-H deformation vibration: O-H in-plane deformation, near 1400 cm-1 (limited diagnostic value)

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Secondary Alcohols













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Secondary Alcohols













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Tertiary Alcohols


(sharp medium strong intensity) O-H stretching (intermolecular H-bonds, dimeric), near 3500 cm-1 (broad strong intensity) O-H stretching (intermolecular H-bonds, polymeric), near 3320 cm-1 (broad strong intensity) O-H stretching (intramolecular H-bonds, single bridge), 3570-3450 cm-1 (broad)

2. C-OH stretching vibration. C-OH stretching, 1210-1100 cm-1

3. O-H deformation vibration: OH in-plane deformation, near 1400cm-1

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Tertiary Alcohols





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Tertiary Alcohols





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Diols

1. O-H stretching vibration: O-H stretching, 3300 cm-1 (very strong intensity, broad)2. O-H in-plane deformation vibration: O-H deformation, 1450-1330 cm-1 (medium intensity)3. C-O stretching vibration: C-O stretching, 1100-1000 cm-1 (one or more intense bands)

The pattern of bands in the fingerprint are below 1250 cm-1 can serve as a key to the identification of these compounds.

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Carbohydrates

1. O-H stretching vibration: O-H stretching, 3300 cm-1 (very strong intensity, broad)2. O-H in-plane deformation vibration: O-H deformation,1450-1330 cm-1 (medium intensity)3. C-O stretching vibration: C-O stretching, 1100-1000 cm-1 (one or more intense bands)

The pattern of bands in the fingerprint are below 1250 cm-1 can serve as a key to the identification of these compounds.

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Phenols

1. O-H stretching vibration: O-H stretching (free), 3650-3590 cm-1 (sharp) O-H stretching (intermolecular H-bonds, dimeric), near 3500 cm-1 (broad strong intensity) O-H stretching (intermolecular H-bonds, polymeric), near 3320 cm-1 (broad strong intensity) O-H stretching (intramolecular H-bonds, single bridge), 3570-3450 cm-1 (broad)2. C-OH stretching vibration: C-OH stretching, 1260-1180 cm-1 3. O-H deformation vibration: O-H deformation,1390-1330 cm-1 (medium intensity)

Increases in the strength of H-bonds are accompanied by shifts to lower frequencies of the absorption bands due to O-H stretching vibration. The occurrence of multiple absorption bands at the O-H stretching region in the spectra of samples examined in the neat or solid form is indicative of an involvement of the OH group in more than one type of hydrogen bonding.

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Ketones

Aliphatic Open Chain Ketones

1. C=O stretching vibration: C=O stretching, saturated, 1725-1705 cm-1

C=O stretching, alpha,beta-unsaturated, 1690-1675 cm-1

2. C-C-C stretching vibration: C-C-C asymmetric stretching, 1230-1100 cm-1

3. C-H bending vibration of CH3 when attached to C=O: CH3 bending symmetric, methyl ketones 1370-1350 cm-1

(abnormally strong absorption band)

Aliphatic Cyclic Ketones

1. C=O stretching vibration: C=O stretching, 4 membered ring, about 1775 cm-1

C=O stretching, 5 membered ring, 1750-1740 cm-1

C=O stretching, 6 and 7 membered ring, 1745-1725 cm-1

Aryl Ketones

1. C=O stretching vibration: C=O stretching, 1690-1680 cm-1

C=O stretching, diaryI ketones, 1670-1660 cm-1

2. C—C—C stretching vibration: C-C-C asymmetric stretching, 325-1215 cm1

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Ketones











Aryl Ketones




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Ketones











Aryl Ketones




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α- and β- Diketones

α-Diketones

1. C=O stretching vibration: C=O stretching,1730-1710 cm-1 (strong)2. CH3 symmetric deformation: CH3 deformation,1360-1355 cm-1

β-Diketones (Enolic forms)

1. -OH stretching vibration (hydrogen bonded): OH stretching, 2900-2000 cm-1

2. C=O and C=C stretching vibrations: C=O stretching and C=C stretching, 1670-1530 cm-1

Other vibrations similar to mono-ketones.

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Aldehydes

1. C(=O)-H stretching vibration: CH stretching, 2 sharp bands of medium intensity near 2941 cm-1 and 2720 cm-1

2. C(=O) stretching vibration: C=O stretching, 1725-1715 cm-1 (strong)

3. C(=O)-H deformation vibration: C-H deformation, 900-700 cm-1 (limited diagnostic value)

Aromatic and Unsaturated Aliphatic

1. C=O stretching vibration: C=O stretching, near 1695 cm-1

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Acid Halides

Aliphatic Acid Halides

1. C=O stretching vibration: C=O stretching, 1810-1795 cm-1 (strong absorption band)2. C-C= stretching vibration: -C-C= stretching, 965-920 cm-1 (medium strong absorption band)

Aromatic Acid Halides, C=O link attached to C atom of side chain

1. C=O stretching vibration: C=O stretching, 1810-1795 cm-1 (strong absorption band)2. C-C= stretching vibration: -C-C= stretching, 965-920 cm-1 (medium strong absorption band)

Aromatic Acid Halides, C=O link attached to C atom of aromatic ring

1. C=O stretching vibration: C=O stretching, 1785-1765 cm-1 (strong absorption band)

The relatively high wave number location of the C=O absorption band, due to the substitution of a halogen on the carbon atom of the C=O link, is a characteristic feature of this class of substances. Substitution of a halogen on the alpha carbon shifts the C=O absorption band to a slightly higher wave number location, while conjugation of the C=O link with an alpha, beta double bond or aryl group shifts the C=O absorption band to slightly lower wave number locations. When the absorption spectra of aryl acid halides show two bands at the C=O absorption region, the second band can be attributed to a low lying fundamental that is influenced by Fermi resonance.

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Anhydrides

Acyclic Anhydrides

1. C=O stretching vibration: C=O stretching, two bands, 1850-1800 cm-1 1790 - 1740 cm-1 (the stronger of the two absorption bands)2. C-O-C stretching vibration: -C-O-C- stretching, 1175-1045 cm-1 (strong broad absorption)

Cyclic Anhydrides (5 membered rings);

1. C=O stretching vibration: C=O stretching, two bands,1870-1820 cm-1 1800-1750 cm-1 (the weaker of the two absorption bands)2. C-O-C stretching vibration: -C-O-C- stretching,1310-1210 cm-1

The substitution of a halogen on the alpha carbon causes the C=O absorption bands to shift to a slightly higher wave number location (F>CI>Br>l). Conjugation of the C=O links with alpha, beta double bonds or aryl groups shift the C=O absorption bands to slightly lower wave number locations.

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Primary Amides

1. NH2 stretching vibrations (symmetric and asymmetric): NH stretching, near 3350 cm-1

NH stretching, near 3180 cm-1


3. NH2 rocking vibration: NH2 rocking, 1650-1625 cm-1

(strong absorption bands usually overlapping with C=O stretch)

4. A fifth distinct band occurs in the range from 1420-1400 cm-1 but is of limited diagnostic value since it is observed in the spectra of other carbonyl compounds.

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Secondary Amides


2. C=O stretching vibration: C=O stretching, 1680-1630 cm-1 (very strong intensity)

3. Combination of N-H deformation and C-N stretching vibrations: NH deformation and C-N stretching, 1570-1515 cm-1

(strong intensity)

4. Mixed C-N stretching and N-H bending vibrations: C-N stretching and N-H bending, 1310-1200 cm-1

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Tertiary Amides

1 C=O stretching vibration: C=O stretching, 1670-1630 cm-1 (very strong intensity)

When present, aliphatic -N(CH3)2 groups show two absorption bands near 2820 cm-1 and 2760 cm-1, and aromatic -N(CH3)2 groups give rise to one absorption band near 2820 cm-1. However, since the asymmetric and symmetric stretching vibrations of CH2 and CH3 groups normally absorb from 2960-2850 cm-1, the absorption effect of the CH2 and CH3 groups attached to the amide nitrogen is not always easy to detect.

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Imides

1. N-H stretching vibration: N-H stretching, near 3220 cm-1

(A strong band similar to that of lactams and secondary amides.)2. C=O stretching vibration: C=O stretching, 1750-1670 cm-1

(A very strong band, usually split into a doublet or triplet.)3. Combined C—N stretching and N—H bending vibrations: C-N stretching and N-H bending, 1310--1210 cm-1 (strong)

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Hydrazides

Generally similar to the corresponding amides.

1. NH2 stretching vibration: NH2 stretching, 3450-3150 cm-1

2. C=O stretching vibration: C=O stretching, near 1640 cm-1

3. Combination of N-H deformation and C-N stretching vibrations:

N-H deformation and C-N stretching, near 1540 cm-1

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Ureas

In general similar to the corresponding amides.

1. N-H and NH2 stretching vibrations: N-H stretching and NH2 stretching, 3360-3170 cm-1

2. C=O stretching vibrations: C=O stretching, 1690-1630 cm-1 (strong intensity)

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Hydantoins 1. N-H stretching vibrations:

N-H stretching, 3300-3120 cm-1

2. C=O stretching vibrations:

C=O stretching, 1750-1670 cm-1

3. C-N stretching and NH bending vibrations:

C-N stretching and NH bending, 1310-1210 cm-1

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Carboxylic Acids

Aliphatic Open Chain Carboxylic Acids


C=O stretching, αβ-unsaturated, 1705-1690 cm-1

C=O, α-halogen substituted,1740-1705 cm-1

2. O-H stretching vibration: OH stretching, H-bonded in dimerized acids, 3000-2500 cm-1 (broadband)3. O-H deformation vibration: O-H out-of-plane deformation, H-bonded in dimerized acids, 950-900 cm-1

4. Coupled C-O stretching vibration and O-H deformation vibrations: C-O stretching and OH in-plane deformation, coupled, near 1430 cm-1 and near 1300 cm-1 (two bands)5. C-H deformation of CH2 adjacent to C=O; CH2 bending, near 1410 cm-1

6. C-H rocking and twisting vibration of CH2 groups in long chain acids: CH2 rocking and twisting, crystalline fatty acids: 1350-1180 cm-1 (the number of bands increases as the number of consecutive CH2 groups increase)

Aryl Carboxylic Acids


C=O stretching, internally bonded, 1670-1650 cm-1

2. O-H stretching vibration: OH stretching, H-bonded in dimerized acids, 3000-2500 cm-1 (broadband)3. O-H deformation vibration: OH out-of-plane deformation, H-bonded in dimerized acids, 950-900 cm-1

4. Coupled C-O stretching vibration and O-H deformation vibrations: C-O stretching and O-H in-plane deformation, coupled, near 1430 cm-1 and near 1300 cm-1 (two bands)

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Carboxylic Acids













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Carboxylic Acids













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Amino Acids

Zwitterionic Form.

1. stretching vibration:

asymmetric stretching, 1600-1560 cm-1

symmetric stretching, near 1410 cm-1

2. NH3+ stretching vibration: NH3+ asymmetric stretching, 3130-3030 cm-1

NH3+ symmetric stretching, 3000-2000 cm-1

3. NH3+ deformation vibration: NH3+ asymmetric deformation, 1660-1600 cm-1 (usually weak absorption band, when present) NH3+ symmetric deformation, 1570-1550 cm-1

4. C-N stretching vibration: C-N stretching,1040-1000 cm-1

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Salts of Carboxylic Acids

1. C=O asymmetric stretching vibration: C=O asymmetric stretching, 1610-1560 cm-1

(A very strong band due to the asymmetric stretching mode of CO2 unit, it usually shows splitting in the spectra of calcium and lithium salts. 2. C=O symmetric stretching vibration: C=O symmetric stretching, 1400-1300 cm-1

(A broad, intense band which is not always sharply resolved into several sub-peaks.)

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Aliphatic and Olefinic Esters

1. C=O stretching vibration: C=O stretching, 1744-1739 cm-1 (very strong intensity) Vinyl and phenyl esters, near 1770 cm-1

Esters of α and β unsaturated acids, near 1720 cm-1

2. C-O-C stretching vibration: C-O-C stretching, 1280-1100 cm-1

(usually accompanied by one or more weaker bands in the region from 1300-1000 cm-1). Formates near 1185 cm-1

Acetates near 1256 cm-1

Propionates near 1194 cm-1

n-Butyrates near 1200 cm-1

3. Overtone of C=O stretching vibration - A weak band near 3450 cm-1

4. CH2 wagging vibration: CH2 wagging, 1345-1180 cm-1

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Aromatic Esters

1. C=O stretching vibration: C=O stretching (Benzoates), 1735-1720 cm-1

C=O stretching (Phenyl ester), near 1770 cm-1

2. C-O-C stretching vibrations: C-O-C stretching (Benzoates), 1290 cm-1and 1110 cm-1

C-O-C stretching (Phthalates), 1300 - 1250 cm-1and a pattern of three bands in the 1100 - 1000 cm-1region.

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Aromatic Esters





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Lactones





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Chloroformates










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Esters of Thio-Acids










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Carbamates










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Esters of Phosphorus Acids










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Documents

Sadtler Handbook of Infrared Spectra