Synthesis and structural studies on Ni(II) dithiocarbamates: Exploring intramolecular Ni⋯H–C interactions

Arul Prakasam Balasubramaniam, Anssi Peuronen, Manu Lahtinen, Muruganandham Manickavachagam, Erkki Kolehmainen, Esa Haapaniemi, Mika Sillanpää

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)


Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, 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⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 Å respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.

Original languageEnglish
Pages (from-to)453-461
Number of pages9
Publication statusPublished - 2017
Externally publishedYes


  • C–H⋯Ni interaction
  • DFT
  • Dithiocarbamate
  • NMR
  • X-ray structural analysis

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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