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Oxoselenide triangular molybdenum clusters: Synthesis and characterization of [Mo3SeO3(acac)3(py)3]PF6 |
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| Authors: | PA Abramov MN Sokolov EV Peresypkina NK Moroz R Hernandez-Molina MC Arévalo |
| Institution: | a Nikolayev Institute of Inorganic Chemistry, Prospekt Lavrentyeva 3, 630090 Novosibirsk, Russia b Novosibirsk State University, ul. Pirogova 2, 630090 Novosibirsk, Russia c Serveis Centrals d’Instrumentació Científica, Universitat Jaume I, Av. Sos Baynat s/n, 12071 Castelló, Spain d Departamento de Qu?mica Inorganica, Universidad de La Laguna, 38200 La Laguna, Tenerife, Islas Canarias, Spain e Departamento de Química Física, Facultad de Química, Universidad de La Laguna, 38200 La Laguna, Tenerife, Spain |
| Abstract: | New cluster complex Mo3SeO3(acac)3(py)3]+ was obtained by ligand substitution in the aqua complex Mo3SeO3(H2O)9]4+. Crystal structure was determined for Mo3SeO3(acac)3(py)3]PF6·C6H5CH3. The complex was characterized by 77Se NMR, electrospray mass-spectrometry, and cyclic voltammetry. DFT calculations were used to confirm the assignment of chemical shift and to study Mo-Mo bonding in the cluster core. |
| Keywords: | Molybdenum clusters Selenide clusters Oxide clusters 77Se NMR NMR shift calculations Electronic structure |
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