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Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

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Page 1: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Far-Infrared Beamline at the Canadian Light Source

Brant E. Billinghurst, Tim E. May

69th International Symposium on Molecular Spectroscopy

Page 2: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Acknowledgements

• Tim May (Beamline, CSR)• Sylvestre Twagirayezu (Supersonic Jet)• Dominique Appadoo ( Beamline, CSR)• Bob McKellar (Beamline)• Jack Bergstrom (CSR)• Ward Wurtz (CSR)• Johannes Vogt (CSR)• Paul Dumas (Horizontal Microscope)• All of our great staff at the CLS • All of the our wonderful users

Page 3: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Funding Partners

38 supporting University Partners and growing…

Page 4: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Home

Page 5: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

What is a Synchrotron ?

Page 6: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

The Canadian Light Source

• Third Generation Storage Ring• Circumference: 171 m • Operating Energy 2.9 GeV • Maximum Current 250 mA• Currently 15 operating Beamlines• 3 Beamlines under construction • Medical Isotope Production

Page 7: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

SpectrometerBeamsplitter Spectral RangeMylar 6 µm 30-630 cm-1

Mylar 75 µm 12-35 cm-1

Ge/KBr 400-4800 cm-1

CaF2 1850-20000 cm-1

DetectorsMCT N 600-10000 cm-1

MCT B 450-10000 cm-1

DTGS 100-3000 cm-1

DTGS PE 15-700 cm-1

Si Bolometer 10-370 cm-1

Ge:Cu 300-1850 cm-1

Internal SourcesGlobar 10 – 13000 cm-1

Hg – Lamp 10 – 1000 cm-1

Tungsten Lamp 1000-25000 cm-1

Bruker IFS 125 HRNominal Maximum Resolution: 0.00096 cm-1

Page 8: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Sample Environments

• 30 cm White Cell• Ambient Temperature• Paths up to 12 m

• 2 m White Cell• Cooled (down to -80 °C) • Paths up to 80 m

Page 9: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Sample Environments Under Development: Horizontal Microscope

• Numerical Aperture: ~0.5• F#: ~ 0.9• Working Distance: ~47

mm• Open for Letters of intent

Thanks to Paul Dumas for providing his design for these optics for us to base our design on.

Page 10: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Sample Environments Under Development: Glow Discharge Cell

• Currently being repaired

• Commissioning to be completed

• Please contact Beamline scientist

Page 11: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Sample Environments Under Development: Supersonic Jet

Page 12: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Oven Cell

• Max Temperature 1500 °C• Pathlength 86 cm• Single pass• Flow capable

Page 13: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Why use a Synchrotron

• High Resolution Spectroscopy requires small Apertures.

• Generally this reduces the throughput• Synchrotron light is very bright and

therefore can be focused through a small aperture without reducing throughput.

• Therefore synchrotron radiation allows for us to have both high throughput and high resolution simultaneously

Page 14: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Signal 30-335 cm-1 Region

34.71245 65.56797 96.42348 127.279 158.13452 188.99003 219.84555 250.70106 281.55658 312.41209 343.267610

5

10

15

20

25

SR/H

g

Frequency (cm-1)

Page 15: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Signal to Noise 30-335 cm-1 Region

50 100 150 200 250 300 35005

1015202530354045505560657075808590

S/N

Wavenumbers (cm-1)

Page 16: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Signal 335-535 cm-1 Region

335.55373 363.83795 392.12217 420.406389999999 448.69062 476.97484 505.25906 533.543280

2

4

6

8

10

12

14

SR/G

B

Frequency (cm-1)

Page 17: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Performance 335-535 cm-1 Region

350 400 450 5000

20

40

60

80

100

120 S

/N

Wavenumber (cm-1)

Page 18: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Signal 500-1000 cm-1 Region

399.836049999999 482.11743 564.3988 646.68017 728.961549999998 811.24292 893.5243 975.8056699999980

2

4

6

8

10

12

14

SR/G

B

Frequency (cm-1)

Page 19: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

S/N 500-1200 cm-1 Region

550 600 650 700 750 800 850 900 950 100010501100115012000

20

40

60 S

/N

Wavenumber (cm-1)

Page 20: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Example #1

550 560 570 580 590 600 610 620

0.0

0.6

1.2

1.8

0.0

0.6

1.2

1.8

Ab

sorb

an

ce

Frequency (cm-1)

S/N

: 11

.1S

R/G

B:

2.6

S/N

: 28

.6

S/N

: 11

.0S

R/G

B:

3.9

S/N

: 42

.7

S/N

: 30

.6S

R/G

B:

3.1

S/N

: 9.

9

S/N

: 55

.3S

R/G

B:

3.4

S/N

: 16

.3

S/N

: 27

.4S

R/G

B:

3.1

S/N

: 9.

0

Page 21: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Example #2

High resolution spectra of pyrrole, collected using the synchrotron (top) compared to the same using the Globar (bottom). Reproduced from Tokaryk D.W. and van Wijngaarden J.A. "Fourier transform spectra of the ν16 , 2ν16 ,and 2ν16- ν16 bands of pyrrole taken with synchrtron radiation" Can. J. Phys. 87 (2009) 443-448. © Canadian Science Publishing or its licensors

Page 22: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

How to get beamtime• Purchased Access: ~ $500.00 per hour• Peer-Review: $ 1 + Tax per 8 hour Shift• Call for proposals every 6 months

– Next Call will open: July 29th 2014 – Deadline: Sept 4th 2014

• Some Advice– Talk to the beamline scientist – Explain why Synchrotron Radiation helps your experiment– Ask for more time then you think you need– Don’t get discouraged if you do not receive beamtime with

your first application

Page 23: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

“Remote” Access• Experiments can be run without the user

coming to the CLS• Experiment run by Beamline Staff• Data is transferred to the user regularly so that

adjustments can be made• Some notes:

– This is only available for stable molecules– Increase your beamtime request by 10%– You must speak with the Beamline Scientist before

requesting this service

Page 24: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Talks by CLS Far-Infrared Beamline UsersRJ. Large amplitude motions, internal rotation

Thursday, 2014-06-19, 01:30 PMMedical Sciences Building 274

RJ01 Contributed Talk 15 min 01:30 PM - 01:45 PMP434: SPECTRAL ASSIGNMENTS AND ANALYSIS OF THE GROUND STATE OF NITROMETHANE IN HIGH-RESOLUTION FTIR SYNCHROTRON SPECTRASYLVESTRE TWAGIRAYEZU, BRANT E BILLINGHURST, TIM E MAY, EFD, Canadian Light Source Inc., Saskatoon, Saskatchewan, Canada; MAHESH B. DAWADI, DAVID S. PERRY, Department of Chemistry, The University of Akron, Akron, OH, USA;

RJ02 Contributed Talk 10 min 01:47 PM - 01:57 PM

P496: ASSIGNMENT AND ANALYSIS OF THE NO2 IN-PLANE ROCK BAND OF NITROMETHANE RECORDED BY HIGH-RESOLUTION FTIR SYNCHROTRON SPECTROSCOPY

MAHESH B. DAWADI, DAVID S. PERRY, Department of Chemistry, The University of Akron, Akron, OH, USA; SYLVESTRE TWAGIRAYEZU, BRANT E BILLINGHURST, EFD, Canadian Light Source Inc., Saskatoon, Saskatchewan, Canada;

RJ13 Contributed Talk 15 min 04:59 PM - 05:14 PM

P512: SYNCHROTRON RADIATION AND THE FAR-INFRARED AND MID-INFRARED SPECTRA OF NCNCS

MANFRED WINNEWISSER, BRENDA P. WINNEWISSER, FRANK C. DE LUCIA, Department of Physics, The Ohio State University, Columbus, OH, USA; DENNIS TOKARYK, STEPHEN CARY ROSS, Department of Physics, University of New Brunswick, Fredericton, NB, Canada; BRANT E BILLINGHURST, EFD, Canadian Light Source Inc., Saskatoon, Saskatchewan, Canada;

RJ14 Contributed Talk 15 min 05:16 PM - 05:31 PM

P568: SPECTROSCOPY OF NCNCS AT THE CANADIAN LIGHT SOURCE: THE FAR-INFRARED SPECTRUM OF THE ν 7 REGION FROM 60-140 cm−1

DENNIS TOKARYK, STEPHEN CARY ROSS, Department of Physics, University of New Brunswick, Fredericton, NB, Canada; BRENDA P. WINNEWISSER, MANFRED WINNEWISSER, FRANK C. DE LUCIA, Department of Physics, The Ohio State University, Columbus, OH, USA; BRANT E BILLINGHURST, EFD, Canadian Light Source Inc., Saskatoon, Saskatchewan, Canada;

RJ15 Contributed Talk 15 min 05:33 PM - 05:48 PM

P165: FITTING THE HIGH-RESOLUTION SPECTROSCOPIC DATA FOR NCNCS

ZBIGNIEW KISIEL, ON2, Institute of Physics, Polish Academy of Sciences, Warszawa, Poland; BRENDA P. WINNEWISSER, MANFRED WINNEWISSER, FRANK C. DE LUCIA, Department of Physics, The Ohio State University, Columbus, OH, USA; DENNIS TOKARYK, STEPHEN CARY ROSS, Department of Physics, University of New Brunswick, Fredericton, NB, Canada; BRANT E BILLINGHURST, EFD, Canadian Light Source Inc., Saskatoon, Saskatchewan, Canada;

RJ09 Contributed Talk 15 min 03:36 PM - 03:51 PM

P433: ANALYSIS OF THE FAR IR SPECTRUM OF TRIMETHYLENE SULFIDE USING EVOLUTIONARY ALGORITHMS

JENNIFER VAN WIJNGAARDEN, DURELL DESMOND, Department of Chemistry, University of Manitoba, Winnipeg, MB, Canada; W. LEO MEERTS, Institute for Molecules and Materials (IMM), Radboud University Nijmegen, Nijmegen, Netherlands;

Page 25: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

CSR advantage over SR

0 10 20 30 40

0

20

40

60

80

100

120

Inte

nsi

ty (

arb

itra

ry u

nits

)

Frequency (cm-1)

0 10 20 30 40-0.05

0.00

0.05

0.10

0.15

0.20

Inte

nsity

(ar

bitr

ary

units

)

Frequency (cm-1)

Page 27: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Coherent Synchrotron RadiationNormal Synchrotron Radiation

Coherent Synchrotron Radiation

Page 28: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Coherent Synchrotron RadiationBunch with N electrons undergoes acceleration

aRandom radiation phases (incoherent)

2a2 Ne2

3c2

(Ne)2

Coherent Radiation Phases

P[coherent]

P[incoherent]= N ≈ 106 - 1010

Power =

Page 29: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Superradiance

Pathlength difference (mm)

1↔162↔17…

Fill Pattern:

60 cm

60 c

m

Page 30: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

SuperradianceFill Pattern:

60 cm

~ 0.0167 cm-1

Page 31: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Theory

𝐼 (𝜔 )=|𝑓 (𝜔)|2∙|𝑔 (𝜔)|2

or for a uniform fill pattern

𝐼 (𝜔 )=|𝑓 (𝜔)|2∙[ sin (𝑁 𝑏𝜔𝑇 /2 )𝑠𝑖𝑛 (𝜔𝑇 /2 ) ]

2

Page 32: Far-Infrared Beamline at the Canadian Light Source Brant E. Billinghurst, Tim E. May 69 th International Symposium on Molecular Spectroscopy

Theory vs. Reality