Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni center dot center dot center dot H-C interactions

: Prakasam BA, Peuronen A, Lahtinen M, Muruganandham M, Kolehmainen E, Haapaniemi E, Sillanpaa M

Publisher: PERGAMON-ELSEVIER SCIENCE LTD

: 2017

: Polyhedron

: POLYHEDRON

: 123

: 453

: 461

: 9

: 0277-5387

DOI: https://doi.org/10.1016/j.poly.2016.11.027

Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)(2)] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmhzdtc)(PPh3)Cl] (3), INi(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato ani'on, pbbzbudtc =N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C-H center dot center dot center dot Ni interactions in complexes 3 and 5 (2.801 and 2.872 angstrom respectively) in the solid state, analyzed further by cornputational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2-5) of Ni(II) are discussed. (C) 2016 Elsevier Ltd. All rights reserved.