Literature DB >> 24473185

A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide.

Debashis Adhikari1, SonBinh T Nguyen, Mu-Hyun Baik.   

Abstract

Epoxide and CO2 coupling reactions catalyzed by (salen)Cr(III)Cl have been modeled computationally to contrast a monometallic vs. a bimetallic mechanism. A low-energy CO2 insertion step into the metal-alkoxide bond was located.

Entities:  

Year:  2014        PMID： 24473185     DOI： 10.1039/c3cc48769e

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  6 in total

1.  A DFT study on the mechanism of the organocatalytic synthesis of a benzoxazine-substituted indolizine derivative.

Authors:  Xin Mao; Sufan Wang; Yongjia Shang
Journal:  J Mol Model       Date:  2017-05-05       Impact factor: 1.810

2.  Surprisingly facile CO2 insertion into cobalt alkoxide bonds: A theoretical investigation.

Authors:  Willem K Offermans; Claudia Bizzarri; Walter Leitner; Thomas E Müller
Journal:  Beilstein J Org Chem       Date:  2015-07-31       Impact factor: 2.883

3.  Intramolecular ring-opening from a CO2-derived nucleophile as the origin of selectivity for 5-substituted oxazolidinone from the (salen)Cr-catalyzed [aziridine + CO2] coupling.

Authors:  Debashis Adhikari; Aaron W Miller; Mu-Hyun Baik; SonBinh T Nguyen
Journal:  Chem Sci       Date:  2014-11-21       Impact factor: 9.825

4.  Insights into the Mechanism of Carbon Dioxide and Propylene Oxide Ring-Opening Copolymerization Using a Co(III)/K(I) Heterodinuclear Catalyst.

Authors:  Arron C Deacy; Andreas Phanopoulos; Wouter Lindeboom; Antoine Buchard; Charlotte K Williams
Journal:  J Am Chem Soc       Date:  2022-09-21       Impact factor: 16.383

5.  Comparing kinetic profiles between bifunctional and binary type of Zn(salen)-based catalysts for organic carbonate formation.

Authors:  Carmen Martín; Arjan W Kleij
Journal:  Beilstein J Org Chem       Date:  2014-08-08       Impact factor: 2.883

6.  Porous polymers bearing functional quaternary ammonium salts as efficient solid catalysts for the fixation of CO2 into cyclic carbonates.

Authors:  Sheng Cai; Dongliang Zhu; Yan Zou; Jing Zhao
Journal:  Nanoscale Res Lett       Date:  2016-07-01       Impact factor: 4.703
  6 in total

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