Chinese Journal of Chemistry
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Recently Published Articles
- Synthesis of [3,3′-Di-sec-butyl-4′-(2-dimethylaminoethoxy)biphenyl-4-yl-oxy]acetic Acid
Mengyang Chang and Chiehkai Chan
Article first published online: 5 MAR 2014 | DOI: 10.1002/cjoc.201400032
A modified synthetic route of [3,3′-di-sec-butyl-4′-(2-dimethylaminoethoxy)biphenyl-4-yloxy]acetic acid (1) with high total yield of 44% from biphenyl-4,4′-diol (2) is described.
- Accurate Prediction of IrH Bond Dissociation Enthalpies by Density Functional Theory Methods
Yi Zhou, Dingjia Liu, Yao Fu, Haizhu Yu and Jing Shi
Article first published online: 5 MAR 2014 | DOI: 10.1002/cjoc.201400015
The accuracies of different theoretical methods (including different density functional theory methods, basis sets and solvation models) in prediction of the IrH BDEs have been examined. It is found that the TPSS/(LanL2DZ: 6-31G(d)) method is relatively more accurate than the other gas-phase calculation methods, and can well simulate the IrH BDEs in low-polarity solvents (such as chlorobenzene and dichloroethane).
- Investigation of Platinum Dispersed on Reduced Graphene Oxide-supported Tungsten Carbide via Sacrificial Cu Adlayers for Methanol Oxidation
Meiqin Shi, Di Zhao, Weiming Liu, Youqun Chu and Chun'an Ma
Article first published online: 5 MAR 2014 | DOI: 10.1002/cjoc.201300873
Pt can be deposited on WC/RGO by galvanic displacement with Cu. With the increasing of deposition, the extent and domain of Pt loading affect the electrochemical performance.
- All-Atom Molecular Dynamics Simulation of Structure and Diffusion of Hydrophilic Antistatic Agents in Polypropylene
Lianhua Long, Yingzi Yang and Feng Qiu
Article first published online: 5 MAR 2014 | DOI: 10.1002/cjoc.201300843
Based on glycerol monostearate, we propose five additives of different polarity by attuning the number of oxyethyl groups. When embedded in polypropylene matrix, due to the gauche effect of the dihedral angles, the polar parts of these additives form helix structures. The diffusion coefficient of the additives depends on their molecular conformations and decreases monotonously with increasing polarity. These results are expected to be helpful in rational design of hydrophilic antistatic agents in polymeric materials.
- Efficient CS Cross-Coupling of Thiols with Aryl Iodides Catalyzed by Cu(OAc)2·H2O and 2,2′-Biimidazole
Chenglong Zong, Jianli Liu, Shengyan Chen, Runsheng Zeng and Jianping Zou
Article first published online: 5 MAR 2014 | DOI: 10.1002/cjoc.201300830
The classical Ullmann CS cross coupling reaction of aryl iodides with aromatic/alkyl thiols under catalysis of 15 mol% Cu(OAc)2·H2O and 15 mol% 2,2′-biimidazole works at 80°C in DMSO for 3 h to provide a variety of aryl sulfides in good to excellent yields.