Theoretical rationalization for the equilibrium between (μ–η2:η2-peroxido)CuIICuII and bis(μ-oxido)CuIIICuIII complexes: perturbational effects from ligand frameworks-Reference-Cited by-同舟云学术

Theoretical rationalization for the equilibrium between (μ–η2:η2-peroxido)CuIICuII and bis(μ-oxido)CuIIICuIII complexes: perturbational effects from ligand frameworks

Published:2020 Issue:20 Volume:49 Page:6710-6717
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Abe Tsukasa¹²³⁴,Shiota Yoshihito¹²³⁴,Itoh Shinobu⁵⁶⁷⁸⁹^ORCID,Yoshizawa Kazunari¹²³⁴^ORCID

Affiliation:

1. Institute for Materials Chemistry and Engineering and IRCCS

2. Kyushu University

3. Nishi-ku

4. Japan

5. Department of Material and Life Science

6. Division of Advanced Science and Biotechnology

7. Graduate School of Engineering

8. Osaka University

9. Suita

Abstract

DFT calculations are carried out to investigate the geometric effects of the supporting ligands in the relative energies of the (μ–η²:η²-peroxido)Cu^IICu^II complex 1 and the bis(μ-oxido)Cu^IIICu^III complex 2.

Funder

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Core Research for Evolutional Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT01001D

Reference94 articles.

1. Structure and Spectroscopy of Copper−Dioxygen Complexes