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Synthesis and characterization of [chloro{2(1H)-pyridinethione-S}{tris(pyridin-2-ylthiolato)methyl-C,N,N′,N″]}nickel(II)], [Ni(TPTM)(SPyH)Cl] |
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| Authors: | Flaviana T. Vieira, Geraldo M. de Lima, James L. Wardell, Solange M.S.V. Wardell, Klaus Krambrock,Ant nio F. de C. Alc ntara |
| Affiliation: | aDepartamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil bDepartamento de Física, ICEx, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil cInstituto de Tecnologia em Fárrmacos, Far-Manguinhos, FIOCRUZ, 21041-250 Rio de Janeiro, RJ, Brazil |
| Abstract: | The compound, [chloro{2(1H)-pyridinethione-S}{tris(pyridin-2-ylthiolato)methyl-C,N,N′,N″]}nickel(II)], [Ni(TPTM)(SPyH)Cl], was isolated from the reaction between NiCl2 · 6H2O and tris(pyridin-2-ylthiolato)methane in aqueous EtOH. X-ray crystallography at 120 K revealed an octahedral arrangement about Ni with a tetradentate tris(pyridin-2-ylthio)methyl-C,N,N,N ligand, a monodentate 2(1H)-pyridinethione-S ligand and a chloride. The 2(1H)-pyridinethione-S ligand was derived from tris(pyridin-2-ylthio)methane probably via an acid catalysed hydrolysis reaction. Intramolecular N–H–Cl and C–H–Cl interactions help to cement the molecular structure. Weak C–H–Cl and C–H–S hydrogen bonding interactions link molecules of [Ni(TPTM)(SPyH)Cl] into a 3D array. EPR and UV spectra, and Hartree–Fock theoretical calculations are reported. |
| Keywords: | Nickel(II) complex Tris(pyridin-2-ylthio)methane X-ray crystallography EPR N,N,N,C-ligand |
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