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

Jay Agarwal; Brian C. Sanders; Etsuko Fujita; Henry F. Schaefer; Todd C. Harrop; James T. Muckerman

doi:10.1039/c2cc32288a

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

Jay Agarwal, Brian C. Sanders, Etsuko Fujita, Henry F. Schaefer, Todd C. Harrop, James T. Muckerman

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

39 Scopus citations

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.

Original language	English
Pages (from-to)	6797-6799
Number of pages	3
Journal	Chemical Communications
Volume	48
Issue number	54
DOIs	https://doi.org/10.1039/c2cc32288a
State	Published - Jun 12 2012
Externally published	Yes

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title = "Exploring the intermediates of photochemical CO2 reduction: Reaction of Re(dmb)(CO)3 COOH with CO2",

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.",

author = "Jay Agarwal and Sanders, \{Brian C.\} and Etsuko Fujita and Schaefer, \{Henry F.\} and Harrop, \{Todd C.\} and Muckerman, \{James T.\}",

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AU - Agarwal, Jay

AU - Sanders, Brian C.

AU - Fujita, Etsuko

AU - Schaefer, Henry F.

AU - Harrop, Todd C.

AU - Muckerman, James T.

PY - 2012/6/12

Y1 - 2012/6/12

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84862512562

U2 - 10.1039/c2cc32288a

DO - 10.1039/c2cc32288a

M3 - Article

AN - SCOPUS:84862512562

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SP - 6797

EP - 6799

JO - Chemical Communications

JF - Chemical Communications

IS - 54

ER -

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

Abstract

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