DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex

被引：0

作者：

Ustynyuk, Leila Yu. ^{[1
]}

Shestakov, Alexander F. ^{[2
]}

机构：

[1] M V Lomonosov Moscow State Univ, Dept Chem, Moscow 119991, Russia

[2] Russian Acad Sci, Fed Res Ctr Problems Chem Phys & Med Chem, Chernogolovka 142432, Moscow, Russia

来源：

MENDELEEV COMMUNICATIONS | 2023年 / 33卷 / 05期

关键词：

Cr-III complexes; carbon dioxide; epoxides; DFT; modeling; COPOLYMERIZATION; CO2;

D O I：

10.1016/j.mencom.2023.09.006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The mechanism of the carbon dioxide and alkene oxide reaction catalyzed by the pentagonal-bipyramidal Cr-III complex, dichloro [2,6-diacetylpyridine bis(benzoylhydrazone)(1-)] chromium, includes the steps of sequential binding of the epoxide molecule, chloride ion and CO2 with the catalytic particle and subsequent cyclization, accompanied by dissociation of Cl-. The solvent effect is important for the formation of the cyclic carbonate product.

引用

页码：611 / 613

页数：3

共 50 条

[1] The Kinetics of the Reaction of Carbon Dioxide with Propylene Oxide Catalyzed by a Chromium-Salen Complex
Chukanova, O. M.
Belov, G. P.
KINETICS AND CATALYSIS, 2018, 59 (03) : 262 - 266
[2] Carbon dioxide/propylene oxide coupling reaction catalyzed by chromium salen complexes
Niu, Yongsheng
Zhang, Wanxi
Li, Hongchun
Chen, Xuesi
Sun, Jingru
Zhuang, Xiuli
Jing, Xiabin
POLYMER, 2009, 50 (02) : 441 - 446
[3] The Kinetics of the Reaction of Carbon Dioxide with Propylene Oxide Catalyzed by a Chromium–Salen Complex
O. M. Chukanova
G. P. Belov
Kinetics and Catalysis, 2018, 59 : 262 - 266
[4] Reaction mechanisms of carbon dioxide, ethylene oxide and amines catalyzed by ionic liquids BmimBr and BmimOAc: a DFT study
Luo, Zhoujie
Wang, Binsen
Liu, Yuan
Gao, Guohua
Xia, Fei
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (40) : 27951 - 27957
[5] Effect of Metal Salen Complex in the Base Catalyzed Catalytic Reaction between Carbon Dioxide and Epoxides
Shyu, Shin-Guang
Tseng, Chia-Kai
Chang, Chun-Kai
Chen, Hung-Po
Liu, Hsin-Chih
Twu, Jen
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2012, 59 (03) : 443 - 451
[6] Reaction between Carbon Dioxide and Propylene Oxide Catalyzed by Cobalt and Chromium Porphyrin Complexes: The Effect of Reaction Conditions on the Reaction Rate
Chukanova, O. M.
Belov, G. P.
KINETICS AND CATALYSIS, 2017, 58 (04) : 397 - 401
[7] Selective copolymerization of carbon dioxide with propylene oxide catalyzed by a nanolamellar double metal cyanide complex catalyst at low polymerization temperatures
Zhang, Xing-Hong
Wei, Ren-Jian
Sun, Xue-Ke
Zhang, Jiang-Feng
Du, Bin-Yang
Fan, Zhi-Qiang
Qi, Guo-Rong
POLYMER, 2011, 52 (24) : 5494 - 5502
[8] Mechanistic Investigation and Reaction Kinetics of the Low-Pressure Copolymerization of Cyclohexene Oxide and Carbon Dioxide Catalyzed by a Dizinc Complex
Jutz, Fabian
Buchard, Antoine
Kember, Michael R.
Fredriksen, Siw Bodil
Williams, Charlotte K.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (43) : 17395 - 17405
[9] Copolymerization of carbon dioxide and propylene oxide catalyzed by salen complexs
Jiang, Chong-wen
Zhao, Chen-chen
Zhou, Ke-yuan
RESOURCES AND SUSTAINABLE DEVELOPMENT, PTS 1-4, 2013, 734-737 : 2159 - 2162
[10] Alternating copolymerization of carbon dioxide and cyclohexene oxide catalyzed by salen CoIII(acetate) complexes
Niu, Yongsheng
Li, Hongchun
COLLOID AND POLYMER SCIENCE, 2013, 291 (09) : 2181 - 2189

← 1 2 3 4 5 →