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Journal of Structural Chemistry

2011 year, number 5

ELECTRON VACANCY LOCALIZATION IN A SINGLE-MOLECULAR SWITCH BASED ON A TWELVE-NUCLEAR RHENIUM CLUSTER

V. E. Fedorov, N. G. Naumov, Y. V. Mironov, S. G. Kozlova, S. P. Gabuda
Keywords: 12-nuclear rhenium cluster complexes, 13С NMR, density functional theory
Pages: 1026-1028

Abstract

Data of 13С NMR and quantum chemical methods is used to show that a change in the oxidation degree of 12-nuclear rhenium cluster complexes [Re12CS17(CN)6]n- from n = 6 to n = 8 leads to electron vacancy localization on the rhenium atoms surrounding the central carbon atom.