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Journal of Molecular Catalysis A: Chemical 370 (2013) iv–xi Contents lists available at ScienceDirect Journal of Molecular Catalysis A: Chemical journal homepage: www.elsevier.com/locate/molcata doi:10.1016/S1381-1169(13)00067-8 Among various metal catalysts, copper chloride showed the highest activity and selectivity of DMC among Mg, Ca, Co and Fe containing chlorides. Copper chloride and copper bromide, having strong electron withdrawing power pro- vided high yields of DMC. Y-zeolite yielded the best results on conversion of methanol and selectivity to DMC among various support. The addition of alkali metal hydroxides increased the conversion and selectivity. Jeong-Kwang Nam, Myoung-Jae Choi, Deug-Hee Cho, Jeong-Kwon Suh, Seong-Bo Kim Journal of Molecular Catalysis A: Chemical 370 (2013) 7 The influence of support in the synthesis of dimethyl carbonate by Cu-based catalysts Catalytic activity of support decreased in the order of SAPO-11 > Al 2 O 3 > Al-SBA-15. Catalytic activity of metal decreased in the order of Pt > Pd > Ni > Ru. High perfor- mance of SAPO-11 support was due to its weak acids and shape selectivity. Shaofeng Gong, Ning Chen, Shinji Nakayama, Eika W. Qian Journal of Molecular Catalysis A: Chemical 370 (2013) 14 Isomerization of n-alkanes derived from jatropha oil over bifunctional catalysts Co 3 O 4 prepared by different routes show distinct perfor- mances for CO oxidation. The grinding-derived catalyst exhibits higher catalytic activity (T 50% = 92 °C). The pro- cess of mechanochemical activation promotes the forma- tion of structural defect. The amount of weakly adsorbed O species plays a key role in CO oxidation on Co 3 O 4 . Changxiang Liu, Qian Liu, Ling Bai, Aiqin Dong, Guangbin Liu, Shihe Wen Journal of Molecular Catalysis A: Chemical 370 (2013) 1 Structure and catalytic performances of nanocrystal- line Co 3 O 4 catalysts for low temperature CO oxida- tion prepared by dry and wet synthetic routes Contents

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Page 1: Contents

Journal of Molecular Catalysis A: Chemical 370 (2013) iv–xi

Contents lists available at ScienceDirect

Journal of Molecular Catalysis A: Chemical

journal homepage: www.elsevier .com/locate/molcata

doi:10.1016/S1381-1169(13)00067-8

� Among various metal catalysts, copper chloride showed the highest activity and selectivity of DMC among Mg, Ca, Co and Fe containing chlorides. � Copper chloride and copper bromide, having strong electron withdrawing power pro-vided high yields of DMC. � Y-zeolite yielded the best results on conversion of methanol and selectivity to DMC among various support. � The addition of alkali metal hydroxides increased the conversion and selectivity.

Jeong-Kwang Nam, Myoung-Jae Choi, Deug-Hee Cho, Jeong-Kwon Suh, Seong-Bo Kim

Journal of Molecular Catalysis A: Chemical 370 (2013) 7

The infl uence of support in the synthesis of dimethyl carbonate by Cu-based catalysts

� Catalytic activity of support decreased in the order of SAPO-11 > Al2O3 > Al-SBA-15. � Catalytic activity of metal decreased in the order of Pt > Pd > Ni > Ru. � High perfor-mance of SAPO-11 support was due to its weak acids and shape selectivity.

Shaofeng Gong, Ning Chen, Shinji Nakayama, Eika W. Qian

Journal of Molecular Catalysis A: Chemical 370 (2013) 14

Isomerization of n-alkanes derived from jatropha oil over bifunctional catalysts

� Co3O4 prepared by different routes show distinct perfor-mances for CO oxidation. � The grinding-derived catalyst exhibits higher catalytic activity (T50% = �92 °C). � The pro-cess of mechanochemical activation promotes the forma-tion of structural defect. � The amount of weakly adsorbed O� species plays a key role in CO oxidation on Co3O4.

Changxiang Liu, Qian Liu, Ling Bai, Aiqin Dong, Guangbin Liu, Shihe Wen

Journal of Molecular Catalysis A: Chemical 370 (2013) 1

Structure and catalytic performances of nanocrystal-line Co3O4 catalysts for low temperature CO oxida-tion prepared by dry and wet synthetic routes

Contents

Page 2: Contents

Contents v

Giselle B. Nuernberg, Edson L. Foletto, Luiz F.D. Probst, Neftalí L.V. Carreño, Marcelo A. Moreira

Journal of Molecular Catalysis A: Chemical 370 (2013) 22

MgAl2O4 spinel particles prepared by metal–chitosan complexation route and used as catalyst support for direct decomposition of methane

� Effect of Zn on the adsorption behavior in benzene hy-drogenation to cyclohexane. � Effect of Zn on the activation energies for benzene hydrogenation to cyclohexane. � Ef-fect of Zn on the selectivity toward cyclohexene in benzene hydrogenation.

Yi Xia, Chen Fan, Zi-Lan Zhou, Yi-An Zhu, Xing-Gui Zhou

Journal of Molecular Catalysis A: Chemical 370 (2013) 44

Effect of Zn on the selectivity of Ru in benzene par-tial hydrogenation from density functional theory investigations

� Ba doping at La site enhances the magnetism of the LaFe0.9Mn0.1O3��

. � The origin of the magnetic proper-ties in La0.8Ba0.2Fe0.9Mn0.1O3��

were investigated. � Ba doping at La site enhances the photocatalytic activ-ity of the LaFe0.9Mn0.1O3��

. � The La0.8Ba0.2Fe0.9Mn0.1O3��

is extremely effective for the MO degradation. � The La0.8Ba0.2Fe0.9Mn0.1O3��

was easily separated by applied magnetic fi eld.

Zhi-Xian Wei, Cai-Mei Xiao, Wei-Wei Zeng, Ji-Ping Liu

Journal of Molecular Catalysis A: Chemical 370 (2013) 35

Magnetic properties and photocatalytic activity of La0.8Ba0.2Fe0.9Mn0.1O3��

and LaFe0.9Mn0.1O3��

� New Zr complexes bearing indolyl-pyridylamido li-gands have been synthesized. � The complexes catalyze the polymerization of ethylene and propene. � High mo-lecular weight linear PEs and highly isotactic PPs were obtained. � The size of the substituents on the ligands plays a critical role in the catalysis.

Gang Li, Marina Lamberti, Mina Mazzeo, Daniela Pappalardo, Claudio Pellecchia

Journal of Molecular Catalysis A: Chemical 370 (2013) 28

Isospecific polymerization of propene by new indolyl-pyridylamido Zr(IV) catalysts

� MgAl2O4 spinel prepared by metal–chitosan complexation route was used as catalyst support. � The Ni/MgAl2O4 was evaluated as a catalyst in the methane decomposition reac-tion. � In the methane decomposition, carbon byproduct was mainly deposited as multi-walled nanotubes.

Page 3: Contents

vi Contents

Hassan Srour, Joanna Jalkh, Paul Le Maux, Soizic Chevance, Marwan Kobeissi, Gérard Simonneaux

Journal of Molecular Catalysis A: Chemical 370 (2013) 75

Asymmetric oxidation of sulfi des by hydrogen per-oxide catalyzed by chiral manganese porphyrins in water/methanol solution

Ana C. Gomes, Patrícia Neves, Sónia Figueiredo, José A. Fernandes, Anabela A. Valente, Filipe A. Almeida Paz, Martyn Pillinger, André D. Lopes, Isabel S. Gonçalves

Journal of Molecular Catalysis A: Chemical 370 (2013) 64

Tris(pyrazolyl)methane molybdenum tricarbonyl complexes as catalyst precursors for olefi n epoxida-tion

Qiang Li, Rongyue Zhang, Juan Li, Xiaofeng Yan, Lianyan Wang, Fangling Gong, Zhiguo Su, Guanghui Ma

Journal of Molecular Catalysis A: Chemical 370 (2013) 56

In situ inhibitor (HCl) removal promoted heteroge-neous Friedel–Crafts reaction of polystyrene micro-sphere with Lewis acids catalysts

� We examine asymmetric oxidation of sulfi des cata-lyzed by manganese porphyrins with H2O2. � The ne-cessity of water as solvent and imidazole as co-catalyst was demonstrated. � One equivalent of hydrogen per-oxide is suffi cient to obtain yields up to 90–100%. � En-antioselective synthesis of sulindac was demonstrated as an application.

� Microwave-assisted synthesis of tris(pyrazolyl)methane Mo0 tricarbonyl complexes. � The tricarbonyl complexes are effective catalyst precursors for olefin epoxida-tion. � In situ oxidative decarbonylation gives (μ2-oxo)bis[dioxomolybdenum(VI)] hexamolybdates. � The dis-solution of the metal compounds is rate-limiting to the overall catalytic process.

� Acid proton inhibited the heterogeneous Friedel–Crafts reaction. � Remove the by-product from the vicinity of the catalysts as soon as it was formed. � The process effi ciency of the catalysis reaction was improved.

� The effect of alumina-based catalysts on the decom-position CF4 at reaction temperatures below 700 °C was studied. � Ce/Al2O3 catalyst modifi ed by cerium sulfate showed good low-temperature activity. � Impregnated sulfate groups strongly infl uence the acidic properties of alumina catalyst. � Alumina catalyst promoted by cerium exhibited good stability without phase differ-ences.

Jung-Yeon Song, Sang-Ho Chung, Min-Sung Kim, Myung-gi Seo, Yong-Hee Lee, Kwan-Young Lee, Jong-Su Kim

Journal of Molecular Catalysis A: Chemical 370 (2013) 50

The catalytic decomposition of CF4 over Ce/Al2O3 modifi ed by a cerium sulfate precursor

Page 4: Contents

Contents vii

Gheorghita Mitran, Octavian-Dumitru Pavel, Ioan-Cezar Marcu

Journal of Molecular Catalysis A: Chemical 370 (2013) 104

Molybdena–vanadia supported on alumina: Effec-tive catalysts for the esterifi cation reaction of acetic acid with n-butanol

Ben Qi, Yanbing Wang, Lan-Lan Lou, Linyue Huang, Ying Yang, Shuangxi Liu

Journal of Molecular Catalysis A: Chemical 370 (2013) 95

Solvent-free aerobic oxidation of alcohols over pal-ladium supported on MCM-41

Yinghua Liang, Meiyi Shao, Wenquan Cui, Li Liu, Joanne Gamage McEvoy

Journal of Molecular Catalysis A: Chemical 370 (2013) 87

Photocatalytic degradation of Rhodamine B by CdS-loaded K4Nb6O17 nanocomposites prepared via re-verse microemulsion

� MoOx–VOx/Al2O3 good catalysts for the esterifi cation of acetic acid with n-butanol. � The catalytic activity cor-related well with the number of strong acid sites. � The number of strong acid sites increased with the vanadia content. � An interaction between molybdenum and va-nadium has been evidenced. � The reaction follows the Langmuir–Hinshelwood mechanism.

� Pd-M41-AE catalysts were prepared by adsorption–reduction and extraction procedures. � Pd-M41-AE exhibited high activity and selectivity for oxidation of benzylic alcohol. � 0.05%Pd-M41-AE gave a TOF as high as 69,920 h�1 for 1-phenylethanol at 160 °C. � The activity of Pd-M41-AE did not lose after four reuses appreciably.

� CdS/K4Nb6O17 was successfully synthesized via a re-verse microemulsion method. � The loaded of CdS greatly increase the visible light absorption for K4Nb6O17. � The composite photocatalysts exhibited high activity for dye degradation.

� Application of supported transition metal oxides cata-lyst. � Using catalyst in large scale. � High reusable cata-lyst. � Chemoselectivity and homoselectivity. � High TON and TOF.

Mohammad Ali Zolfi gol, Ardeshir Khazaei, Maliheh Safaiee, Mohammad Mokhlesi, Rahele Rostamian, Mahsa Bagheri, Morteza Shiri, Hendrik Gerhardus Kruger

Journal of Molecular Catalysis A: Chemical 370 (2013) 80

Application of silica vanadic acid as a heterogeneous, selective and highly reusable catalyst for oxidation of sulfi des at room temperature

Page 5: Contents

viii Contents

Jianchao Yuan, Fuzhou Wang, Bingnian Yuan, Zong Jia, Fengying Song, Jing Li

Journal of Molecular Catalysis A: Chemical 370 (2013) 132

Highly active ortho-phenyl substituted �-diimine Nickel(II) catalysts for “chain walking polymeriza-tion” of ethylene: Synthesis of the nanosized den-dritic polyethylene

Sze-Mun Lam, Jin-Chung Sin, Ahmad Zuhairi Abdullah, Abdul Rahman Mohamed

Journal of Molecular Catalysis A: Chemical 370 (2013) 123

Investigation on visible-light photocatalytic deg-radation of 2,4-dichlorophenoxyacetic acid in the presence of MoO3/ZnO nanorod composites

Fatemeh Tamaddon, Somayeh Moradi

Journal of Molecular Catalysis A: Chemical 370 (2013) 117

Controllable selectivity in Biginelli and Hantzsch reactions using nanoZnO as a structure base catalyst

� Complexes 4a–c bearing 2,6-diphenyl show high activity for ethylene polymerization. � Complex 4a bearing 4-F pro-duced nanosized dendritic polyethylene at 60 °C. � Complex 4c bearing 4-methyl produced more linear polyethylene. � The fl uorine groups at the ligand’s aryl ring has a great impact on PE branching.

� MoO3/ZnO nanorods were newly synthesized by a hy-drothermal-precipitation method. � MoO3 showed visible-light absorption ability and a redshift for the composites. � Highly enhanced visible-light degradation of 2,4-D was re-alized. � The composites were effi ciently separated charge carriers to form more ·OH radicals. � A cooperative photo-catalytic mechanism for the composites was also discussed.

� NanoZnO show high activity toward MCRs for the syn-thesis of DHPMs and DHPs. � Selectivity is controllable by choice of the reaction conditions. � NanoZnO and ZnO are reusable and catalyze the Biginelli reaction at ̃ 60 °C. � Dis-sociation of urea over ZnO results in the Biginelli/Hantzsch switching under MW irradiation.

� Synthesis of nano-sphere silica sulfuric acid (NS-SSA). � Application of nano-sphere silica sulfuric acid in the protection of amines. � Catalysis under room temperature and solvent free medium. � Easy work-up, chemoselectiv-ity, 17 cycles recovery, the large scale reaction.

M.A. Zolfi gol, A. Khazaei, M. Mokhlesi, F. Derakhshan-Panah

Journal of Molecular Catalysis A: Chemical 370 (2013) 111

Synthesis, characterization and catalytic properties of monodispersed nano-sphere silica sulfuric acid

Page 6: Contents

Contents ix

Mohammad Bakherad, Saeideh Jajarmi

Journal of Molecular Catalysis A: Chemical 370 (2013) 152

A dithizone-functionalized polystyrene resin-supported Pd(II) complex as an effective catalyst for Suzuki, Heck, and copper-free Sonogashira reactions under aerobic conditions in water

Cleiton A. Nunes, Mário C. Guerreiro

Journal of Molecular Catalysis A: Chemical 370 (2013) 145

Chemometric approaches on glycerol oxidation with H2O2 over supported gold nanoparticles

� Highly effi cient heterogeneous catalyst for the Suzuki, Heck and Sonogashira reactions were prepared. � The pro-cedure is easy and does not require special precautions. � [PS-dtz-Pd(II)] was fully characterized. � The catalyst can be reused several times without a noticeable change in activity.

� Larger Au nanoparticles are obtained using HAuCl4 in higher concentration. � Glycerol conversion was higher using catalysts with low polyvinyl alcohol/Au ratio. � Larger Au nanoparticles contributed to higher glyco-late selectivity. � Selectivity to glycerate and tartronate were higher at lower temperature.

� A new strategy has been proposed for the reduc-tion of N2 to NH3 and N2H4 by H2. � The calculated free energies show that the formation NH3 is more viable than the N2H4. � Formation of six coordinate [Mo]-H intermediates have also been predicted. � The direct contact of H2 with [N2-Mo{(NHCH2CH2)3N}] catalyst can be avoided.

Sambath Baskaran, Chinnappan Sivasankar

Journal of Molecular Catalysis A: Chemical 370 (2013) 140

Reduction of N2 by H2 to NH3 and N2H4 using [MoL] (L = triamidoamine) and organic co-catalysts: A theoretical approach

Xiaodong Zhang, Zhenping Qu, Fangli Yu, Yi Wang, Xin Zhang

Journal of Molecular Catalysis A: Chemical 370 (2013) 160

Effects of pretreatment atmosphere and silver loading on the structure and catalytic activity of Ag/SBA-15 catalysts

� Catalyst structure was related with the pretreatment con-ditions and silver loading. � Ar pretreatment gave higher activity on the catalyst with low silver loading. � Small metal Ag was key factor for high activity on the catalyst with low loading. � High activity was obtained on catalyst with high loading after O2 pretreatment. � Subsurface oxygen species was essential for high activity after O2 pretreatment.

Page 7: Contents

x Contents

� Porous SrFeO3 hollow spheres are prepared by the one-pot hydrothermal method. � Porous SrFeO3 hollow spheres are high in Oads content. � Porous SrFeO3 hollow spheres are good in low-temperature reducibility. � Porous SrFeO3 hol-low spheres perform well in the combustion of toluene. � Catalytic activity is governed by the Oads content and low-temperature reducibility.

Kemeng Ji, Hongxing Dai, Jiguang Deng, Lei Zhang, Haiyan Jiang, Shaohua Xie, Wen Han

Journal of Molecular Catalysis A: Chemical 370 (2013) 189

One-pot hydrothermal preparation and catalytic performance of porous strontium ferrite hollow spheres for the combustion of toluene

� Palladium (Pd) nanoparticles in polyethylene glycol (PEG) as an active catalyst. � Effi cient catalyst for hydrogenation of crotonaldehyde and oxidation of benzene. � High degree of dispersion of Pd nanoparticles in PEG with small particle size distribution. � The current Pd/PEG catalytic system ex-hibited good stability and recyclability.

F.A. Harraz, S.E. El-Hout, H.M. Killa, I.A. Ibrahim

Journal of Molecular Catalysis A: Chemical 370 (2013) 182

Catalytic hydrogenation of crotonaldehyde and oxidation of benzene over active and recyclable palladium nanoparticles stabilized by polyethylene glycol

� A new mesoporous silica supported Pd (II) catalyst had been successfully prepared. � The catalyst showed high activity for Suzuki coupling reaction. � The catalyst was eas-ily recovered by simple fi ltration. � The catalyst was reused for fi ve cycles without evident loss in activity.

Shuoyun Wei, Zongyan Ma, Peng Wang, Zhengping Dong, Jiantai Ma

Journal of Molecular Catalysis A: Chemical 370 (2013) 175

Anchoring of palladium (II) in functionalized SBA-16: An effi cient heterogeneous catalyst for Suzuki coupling reaction

� Manganese and cobalt catalysts were prepared from two different procedures. � The auto-combustion improved the redox properties in manganese oxides. � Mn reacts faster than Co with the glycine, producing oxides with better properties in oxidation. � Manganese oxides are more sensitive to the synthesis method than the cobalt oxides. � Successful oxidation of toluene was obtained over manga-nese oxides by auto-combustion.

María Haidy Castaño, Rafael Molina, Sonia Moreno

Journal of Molecular Catalysis A: Chemical 370 (2013) 167

Mn–Co–Al–Mg mixed oxides by auto-combustion method and their use as catalysts in the total oxida-tion of toluene

Page 8: Contents

Contents xi

� Fe3O4/Pd(0) nanoparticles catalyzes carbonylation under atmospheric pressure of CO � Fe3O4-supported metal catalysts can be separated by an external magnet � Various aryl iodides on alkoxycarbonylation gave the products in excellent yields � The effi ciency of the cata-lyst remains unaltered even after fi ve cycles.

Aviraboina Siva Prasad, Bollikonda Satyanarayana

Journal of Molecular Catalysis A: Chemical 370 (2013) 205

Fe3O4 supported Pd(0) nanoparticles catalyzed alkoxycarbonylation of aryl halides

� Synthesis of novel N-dihydro pyrimidinone-decahy-droacridine-1,8-diones. � Synthesis of 3,4 dihydro py-rimidinones (Biginelli reaction). � Catalyst is an effi cient renewable eco friendly, reusable and easily separated from the products.

Abdul Rajack, K. Yuvaraju, Ch. Praveen, Y.L.N. Murthy

Journal of Molecular Catalysis A: Chemical 370 (2013) 197

A facile synthesis of 3,4-dihydropyrimidinones/thiones and novel N-dihydro pyrimidinone-deca-hydroacridine-1,8-diones catalyzed by cellulose sulfuric acid