Syntheses, crystal structure and theoretical investigation of novel heteroleptic complexes of nickel(II) with N-R-sulfonyldithiocarbimate and phosphine ligands |
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Authors: | Marcelo Ribeiro Leite Oliveira Eduardo de Faria Franca Silvana Guilardi Javier Ellena Vito Modesto De Bellis |
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Affiliation: | a Departamento de Química, Universidade Federal de Viçosa, Viçosa MG, CEP 36571-000, Brazil b Instituto de Química, Universidade Federal de Uberlândia, Uberlândia MG, CEP 38408-100, Brazil c Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos SP, CEP 13500-970, Brazil d Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte MG, CEP 31270-901, Brazil |
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Abstract: | Five new complexes of general formula: [Ni(RSO2NCS2)(dppe)], where R = C6H5 (1), 4-ClC6H4 (2), 4-BrC6H4 (3), 4-IC6H4 (4) and dppe = 1,2-bis(diphenylphosphino)ethane and [Ni(4-IC6H4SO2NCS2)(PPh3)2] (5), where PPh3 = triphenylphosphine, were obtained in crystalline form by the reaction of the appropriate potassium N-R-sulfonyldithiocarbimate K2(RSO2NCS2) and dppe or PPh3 with nickel(II) chloride in ethanol/water. The elemental analyses and the IR, 1H NMR, 13C NMR and 31P NMR spectra are consistent with the formation of the square planar nickel(II) complexes with mixed ligands. All complexes were also characterized by X-ray diffraction techniques and present a distorted cis-NiS2P2 square-planar configuration around the Ni atom. Quantum chemical calculations reproduced the crystallographic structures and are in accord with the spectroscopic data. Rare C-H···Ni intramolecular short contact interactions were observed in the complexes 1-5. |
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Keywords: | Dithiocarbimates Phosphines Nickel complexes Crystal structures |
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