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

Debashis Adhikari; Son Binh T. Nguyen; Mu Hyun Baik

doi:10.1039/c3cc48769e

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

Debashis Adhikari, Son Binh T. Nguyen^*, Mu Hyun Baik

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

51 Scopus citations

Abstract

Epoxide and CO₂ coupling reactions catalyzed by (salen)Cr^IIICl 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.

Original language	English (US)
Pages (from-to)	2676-2678
Number of pages	3
Journal	Chemical Communications
Volume	50
Issue number	20
DOIs	https://doi.org/10.1039/c3cc48769e
State	Published - Feb 11 2014

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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abstract = "Epoxide and CO2 coupling reactions catalyzed by (salen)CrIIICl 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.",

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