Catalysis of CO2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO2 binding triggered by combined frontier MO associations involving a SOMO-Reference-Cited by-同舟云学术

Catalysis of CO2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO2 binding triggered by combined frontier MO associations involving a SOMO

Published:2021 Issue:44 Volume:50 Page:15983-15995
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Sakaguchi Yuto¹^ORCID,Call Arnau²^ORCID,Yamauchi Kosei¹^ORCID,Sakai Ken¹^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Kyushu University, Motooka 744, Nishi-ku, Fukuoka 819-0395, Japan

2. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química Universitat de Girona, Campus Montilivi, Girona E-17071, Catalonia, Spain

Abstract

The Fe- and Co-based molecular catalysts are found to utilize multiple sets of frontier MO associations at the CO2 binding by including one of the SOMOs in a high-spin Fe(i) and Co(i) center, respectively, accelerating these oxidative addition steps.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D1DT01877A

Reference49 articles.

1. A Technical, Economic, and Environmental Assessment of Amine-Based CO2 Capture Technology for Power Plant Greenhouse Gas Control

2. Transformation of Carbon Dioxide

3. Thermodynamics and kinetics of CO2, CO, and H+ binding to the metal centre of CO2reductioncatalysts