title: Synthesis, Structural Characterization, and MO Calculations of Vanadium Imido Complexes Containing Bidentate Phosphine Coligands.
abstract: Treatment of complex V(N-2,6-(i)Pr(2)C(6)H(3))Cl(3) with 1,2-dimethoxyethane (dme) gives in quasi-quantitative yield the adduct V(N-2,6-(i)Pr(2)C(6)H(3))Cl(3)(dme) (1). Interaction of 1 with bidentate phosphines gives V(N-2,6-(i)Pr(2)C(6)H(3))Cl(3)(P-P) (P-P = depe, 2a; dppe, 2b) compounds. An X-ray analysis (monoclinic, space group P2(1)/c, a = 14.7387(14) Å, b = 10.6738(10) Å, c = 16.999(3) Å, beta = 90.954(2) degrees, Z = 4, R = 0.0544), carried out on complex 2a, shows a mer arrangement of the chloride ligands and a nonsymmetrical coordination of the diphosphine ligand. One of the phosphorus atoms occupies the trans position with respect to the organoimido ligand. MO calculations on the models V(NR)Cl(3)(H(2)PCH(2)CH(2)PH(2)) (R = H, C(6)H(5)) of complex 2a were performed. The mer isomer, which is more stable than the fac isomer, shows good agreement with the experimental data.
authors.affiliation: Departamento de Química Inorgánica, Universidad de Sevilla, Aptdo 553, 41071 Sevilla, Spain, Departamento de Química Física, Universidad de Sevilla, 41071 Sevilla, Spain, and Instituto de Ciencia de Materiales, CSIC, Campus de Cantoblanco, 28049 Madrid, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Montilla
authors.forename: Angeles
authors.initials: A
authors.lastname: Monge
authors.forename: Enrique
authors.initials: E
authors.lastname: Gutiérrez-Puebla
authors.forename: Antonio
authors.initials: A
authors.lastname: Pastor
authors.forename: Diego
authors.initials: D
authors.lastname: del Río
authors.forename: Norge Cruz
authors.initials: NC
authors.lastname: Hernández
authors.forename: Javier Fernández
authors.initials: JF
authors.lastname: Sanz
authors.forename: Agustín
authors.initials: A
authors.lastname: Galindo