Author/Authors :
Abramov، نويسنده , , P.A. and Sokolov، نويسنده , , M.N. and Peresypkina، نويسنده , , E.V. and Mirzaeva، نويسنده , , I.V. and Moroz، نويسنده , , N.K. and Vicent، نويسنده , , C. and Hernandez-Molina، نويسنده , , R. and Goya، نويسنده , , M.C. and Arévalo، نويسنده , , M.C. and Fedin، نويسنده , , V.P.، نويسنده ,
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 :
Selenide clusters , Oxide clusters , NMR shift calculations , 77Se NMR , Electronic structure , Molybdenum clusters
