title: Synthesis of di- and tetranuclear oxido-molybdenum(V) complexes containing p-toluenesulfonates as ligands: a joint spectroscopic, crystallographic and computational study.
abstract: The 1 : 1 reaction of MoCl5 with 1,4-Me(SO3Me)C6H4 led to the isolation of crystalline Mo2O2Cl6[μ-κ(2)-1,4-Me(SO3Me)C6H4], 1, in low yields. Attempts to reproduce the synthesis of 1 from MoOCl3/1,4-Me(SO3Me)C6H4 resulted in the good-yield formation of [MoOCl2(μ-Cl)(κ(1)-1,4-Me(SO3Me)C6H4)]2, 2. The 1 : 1 reaction of MoCl5 with 1,4-Me(SO3H)C6H4·H2O selectively yielded Mo4O4Cl8[μ3-1,4-Me(SO3)C6H4]4, 3. Compounds 1 and 3 were characterized by X-ray diffractometry; moreover DFT calculations were carried out on 1-3 in order to shed light on their thermodynamic and structural features.
authors.affiliation: Ca' Foscari University of Venice, Dipartimento di Scienze Molecolari e Nanosistemi Dorsoduro 2137, I-30123 Venezia, Italy.
authors.forename: Marco
authors.initials: M
authors.lastname: Bortoluzzi
authors.forename: Mohammad
authors.initials: M
authors.lastname: Hayatifar
authors.forename: Fabio
authors.initials: F
authors.lastname: Marchetti
authors.forename: Guido
authors.initials: G
authors.lastname: Pampaloni
authors.forename: Stefano
authors.initials: S
authors.lastname: Zacchini