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Issue 20, 2014
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A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide

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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.

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

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Publication details

The article was received on 17 Nov 2013, accepted on 23 Dec 2013 and first published on 07 Jan 2014


Article type: Communication
DOI: 10.1039/C3CC48769E
Author version available: Download Author version (PDF)
Citation: Chem. Commun., 2014,50, 2676-2678
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    A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide

    D. Adhikari, S. T. Nguyen and M. Baik, Chem. Commun., 2014, 50, 2676
    DOI: 10.1039/C3CC48769E

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