An Investigation of Superexchange in Dinuclear Mixed-Valence Ruthenium Complexes

Autor:	Robert J. Crutchley, Veniamin V. Kondratiev, Christopher A. White, Christopher E. B. Evans, Ali Reza Rezvani, Mark L. Naklicki
Rok vydání:	1998
Předmět:	Valence (chemistry) Chemistry chemistry.chemical_element General Chemistry Comproportionation Biochemistry Catalysis Ruthenium Delocalized electron Colloid and Surface Chemistry Computational chemistry Chemical physics Superexchange Condensed Matter::Strongly Correlated Electrons
Zdroj:	Journal of the American Chemical Society. 120:13096-13103
ISSN:	1520-5126 0002-7863
DOI:	10.1021/ja982673b
Popis:	A quantitative study of hole-transfer superexchange in Class II mixed-valence complexes is presented. The free energy of resonance exchange was calculated from metal−metal coupling elements derived from Hush and CNS models and compared to experimental values that were factored from the free energy of comproportionation. The Hush model gave acceptable results for only the most weakly coupled systems while the CNS model gave reasonable predictions throughout the range of coupling studied (valence trapped to nearly delocalized behavior).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b3ffa28673417ddfa32526f5a1fa0740 https://doi.org/10.1021/ja982673b Zobrazit plný text záznamu