Pair-delocalization in trigonal mixed-valence clusters: new insight into the vibronic origin of broken-symmetry ground states-Reference-Cited by-同舟云学术

Pair-delocalization in trigonal mixed-valence clusters: new insight into the vibronic origin of broken-symmetry ground states

Published:2019 Issue:21 Volume:21 Page:11122-11131
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Palii Andrew¹²³⁴⁵,Tsukerblat Boris⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Institute of Problems of Chemical Physics

2. Chernogolovka

3. Russia

4. Institute of Applied Physics

5. Academy of Sciences of Moldova

6. Department of Chemistry

7. Ben-Gurion University of the Negev

8. Beer-Sheva

9. Israel

10. Ariel University

Abstract

A new vibronic mechanism for the stabilization of pair-delocalized electronic states in trigonal trimeric mixed valence complexes (such as iron–sulfur [Fe₃S₄]⁰ proteins) is proposed.

Funder

European Cooperation in Science and Technology

Ministry of Education and Science of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01562K

Reference25 articles.

1. Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

2. Moessbauer study of D. gigas ferredoxin II and spin-coupling model for Fe3S4 cluster with valence delocalization

3. Isonitrile binding to a site-differentiated synthetic analog of biological [4Fe-4S] clusters: equilibria, magnetic interactions, and the spin-isolated [3Fe-4S] cluster fragment, and the structure of a low-spin iron(II) subsite

4. Synthesis, characterization, and reactivity of new clusters that contain the [MFe3S4]0 core, M = molybdenum, tungsten. A weakly perturbed [MFe3S4]0 unit structurally and electronically analogous to the reduced three-ion centers in ferredoxins

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