Quantum-chemical insights into mixed-valence systems: within and beyond the Robin

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

Published:2014 Issue:14 Volume:43 Page:5067-5088
ISSN:0306-0012
Container-title:Chem. Soc. Rev.
language:en
Short-container-title:Chem. Soc. Rev.

Author:

Parthey M.¹²³⁴⁵,Kaupp M.¹²³⁴⁵

Affiliation:

1. Technische Universität Berlin

2. Institut für Chemie

3. Theoretische Chemie

4. Sekr. C7

5. 10623 Berlin, Germany

Abstract

The application of quantum-chemical methods to both organic and transition-metal mixed-valence systems is reviewed, with particular emphasis on how to describe correctly delocalisation vs. localisation near the borderline between Robin–Day classes II and III.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CS/C3CS60481K

Reference285 articles.

1. Direct approach to measuring the Franck-Condon barrier to electron transfer between metal ions

2. Binuclear complexes of ruthenium ammines

3. Optical Spectra of Delocalized Dinitroaromatic Radical Anions Revisited

4. Solvent effects on intramolecular electron exchange in the 1,4-dinitrobenzene radical anion

5. Effect of Ortho Substitution on the Charge Localization of Dinitrobenzene Radical Anions

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