title: A Valence Bond Description of Dizwitterionic Dithiolene Character in an Oxomolybdenum-bis(dithione).
abstract: Metallo-dithiolene non-innocence is explored in an oxomolybdenum-bis(dithione) complex, [Mo4+O(i-Pr2Pipdt)2Cl][PF6] (wherei-Pr2Pipdt is N,N'-piperazine-2,3-dithione), that possesses a piperazine ring as an integral part of the dithiolene ligand. The title complex displays unusual spectroscopic features for a formally reduced Mo(IV) dithiolene complex, namely a low energy metal-to-ligand charge transfer band with appreciable intensity and C-C and C-S stretching frequencies that are markedly different from those of oxomolydenum complexes coordinated to dianionic dithiolene ligands. The electronic structure of the ligand has been described in valence bond terms as a resonance hybrid of dithione and dizwitterionic dithiolene contributing structures.
authors: Department of Chemistry and Chemical Biology, The Univesity of New Mexico, MSC03 2060. 1 University of New Mexico, Albuquerque, NM 87131-0001.
authors: Regina P
authors: RP
authors: Mtei
authors: Eranda
authors: E
authors: Perera
authors: Benjamin
authors: B
authors: Mogesa
authors: Benjamin
authors: B
authors: Stein
authors: Partha
authors: P
authors: Basu
authors: Martin L
authors: ML
authors: Kirk
keywords: Raman; dithiolene; electronic structure; molybdenum; zwitterionic
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