Electronic structure aspects of the complete O2 transfer reaction between Ni(ii) and Mn(ii) complexes with cyclam ligands-Reference-Cited by-同舟云学术

Electronic structure aspects of the complete O2 transfer reaction between Ni(ii) and Mn(ii) complexes with cyclam ligands

Published:2015 Issue:4 Volume:17 Page:2814-2822
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zapata-Rivera Jhon¹²³⁴,Caballol Rosa¹²³⁴,Calzado Carmen J.⁵⁶⁷⁴

Affiliation:

1. Departament de Química Física i Inorgànica

2. Universitat Rovira i Virgili

3. 43007 Tarragona

4. Spain

5. Departamento de Química Física

6. Universidad de Sevilla

7. 41012 Sevilla

Abstract

Multiconfigurational CASSCF and DDCI calculations indicate that the reaction consists in the superoxide migration between Ni(ii) and Mn(ii) complexes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05127K

Reference47 articles.

1. Multicopper Oxidases and Oxygenases

2. Copper-Dioxygen Complexes. Inorganic and Bioinorganic Perspectives

3. Copper Active Sites in Biology

4. Structure and Spectroscopy of Copper−Dioxygen Complexes

5. Preparation of Highly Efficient Manganese Catalase Mimics

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Superoxide to Peroxide Interconversion in Ni-TMC Complexes: The Significance of Structure and Spin States;Inorganic Chemistry;2024-07-29

2. Dinitrogen Activation Mediated by the (P₂P^Ph)Fe Complex: Electronic Structure, Dimerization Mechanism, and Magnetic Coupling;Inorganic Chemistry;2024-01-09

3. Orthogonal Valence Bond as a Bridge Between the Valence Bond and Molecular Orbital Representations of the Wave Function;Comprehensive Computational Chemistry;2024

4. Bio-inspired mononuclear nonheme metal peroxo complexes: Synthesis, structures and mechanistic studies toward understanding enzymatic reactions;Coordination Chemistry Reviews;2023-04

5. Evaluation of the electronic structure and charge transfer in the Cu2O22+ core using multiconfigurational methods;Theoretical Chemistry Accounts;2020-03