The electronic structure of molybdenum (II) clusters with chelate ligands

Autor: A. O. Kozin, Alexander A. Projavkin, Ilia A. Dementyev, Sergei N. Yusha, Dmitry V. Korolkov
Rok vydání: 2007
Předmět:
Zdroj: International Journal of Quantum Chemistry. 107:2507-2518
ISSN: 1097-461X
0020-7608
DOI: 10.1002/qua.21381
Popis: The electronic structures of divalent molybdenum binuclear clusters with chelate ligands [Mo2(O2CH)4], [Mo2(O2CCH3)4], [Mo2(O2CCF3)4], [Mo2(O2CCFH2)4], [Mo2(O2CCOOH)4], and [Mo2(SO4)4]4− are calculated and interpreted using theory of density functional; one-electron redox reactions and addition reactions for these clusters are modeled. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Databáze: OpenAIRE
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