Magnetic exchange and valence delocalization in a mixed valence [Fe2+Fe3+Te2]+ complex: insights from theory and interpretations of magnetic and spectroscopic data-Reference-Cited by-同舟云学术

Magnetic exchange and valence delocalization in a mixed valence [Fe²⁺Fe³⁺Te₂]⁺ complex: insights from theory and interpretations of magnetic and spectroscopic data

Published:2022 Issue:35 Volume:24 Page:20760-20775
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Atanasov M.¹²^ORCID,Spiller N.¹^ORCID,Neese F.¹^ORCID

Affiliation:

1. Department of Molecular Theory and Spectroscopy, Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

2. Institute of General and Inorganic Chemistry, Bulgarian Academy of Science, Akad-Georgi Bontchev Str. Bl.11, 1113-Sofia, Bulgaria

Abstract

A mixed valence tellurium bridged Fe(ii)–Fe(iii) complex was studied using correlated ab initio methods. Spectroscopic and magnetic properties have been rationalized considering coupling between spins and vibrations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02975H

Reference43 articles.

1. Missing Pieces in the Puzzle of Biological Water Oxidation

2. The Spectroscopy of Nitrogenases

3. Identification of a spin-coupled Mo(iii) in the nitrogenase iron–molybdenum cofactor

4. X‐ray Magnetic Circular Dichroism Spectroscopy Applied to Nitrogenase and Related Models: Experimental Evidence for a Spin‐Coupled Molybdenum(III) Center

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