Issue 54, 2012
From the journal:

Chemical Communications

Exploring the intermediates of photochemical CO2reduction: reaction of Re(dmb)(CO)3 COOH with CO2†

Jay Agarwal,ab   Brian C. Sanders,c   Etsuko Fujita,b   Henry F. Schaefer III,a   Todd C. Harropc  and  James T. Muckerman*b  

* Corresponding authors

a Center for Computational Chemistry, University of Georgia, USA

b Chemistry Department, Brookhaven National Laboratory, USA
E-mail: muckerma@bnl.gov

c Chemistry Department, University of Georgia, USA

Abstract

We have investigated the reaction of Re(dmb)(CO)3COOH with CO2 using density functional theory, and propose a mechanism for the production of CO. This mechanism supports the role of Re(dmb)(CO)3COOH as a key intermediate in the formation of CO. Our new experimental work supports the proposed scheme.

Graphical abstract: Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2

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Article information

DOI
https://doi.org/10.1039/C2CC32288A
Article type
Communication
Submitted
30 Mar 2012
Accepted
12 May 2012
First published
17 May 2012

Chem. Commun., 2012,48, 6797-6799

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Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2

J. Agarwal, B. C. Sanders, E. Fujita, H. F. Schaefer III, T. C. Harrop and J. T. Muckerman, Chem. Commun., 2012, 48, 6797 DOI: 10.1039/C2CC32288A

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