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 |
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Rok vydání: | 2007 |
Předmět: |
chemistry.chemical_classification
Molybdenum clusters Addition reaction chemistry.chemical_element Electronic structure Condensed Matter Physics Redox Atomic and Molecular Physics and Optics Divalent Crystallography chemistry Molybdenum Computational chemistry Chelation Physical and Theoretical Chemistry |
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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