Photochemical conversion of CO2 to CO by a Re complex: theoretical insights into the formation of CO and HCO3− from an experimentally detected monoalkyl carbonate complex-Reference-Cited by-同舟云学术

Photochemical conversion of CO2 to CO by a Re complex: theoretical insights into the formation of CO and HCO3− from an experimentally detected monoalkyl carbonate complex

Published:2021 Issue:60 Volume:11 Page:37713-37725
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Isegawa Miho¹^ORCID,Sharma Akhilesh K.²^ORCID

Affiliation:

1. International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Moto-oka, Nishi-ku, Fukuoka, 819-0395, Japan

2. International Research Center for Elements Science (IRCELS), Institute for Chemical Research (ICR), Kyoto University, Uji, Kyoto 611-0011, Japan

Abstract

DFT and DLPNO-CCSD(T) calculations proposed a pathway for the conversion of the experimentally detected monoarkyl carbonate complex to tetracarbonyl complex.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA07286B

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