Centrosymmetric Nickel(II) Complexes Derived from Bis-(Dithiocarbamato)piperazine with 1,1′-Bis-(Diphenylphosphino)ferrocene and 1,2-Bis-(Diphenylphosphino)ethane as Ancillary Ligands: Syntheses, Crystal Structure and Computational Studies

Two Ni(II) complexes with the formula [{Ni(dppf)}2{(L1)2}](PF6)2 (Ni-I) and [{Ni(dppe)}2{(L1)2}](PF6)2 (Ni-II) were prepared by reacting [Ni(dppf)Cl2] [Ni(dppe)Cl2] (dppf = 1,1′-Bis-(diphenylphosphino)ferrocene; dppe 1,2-Bis-(diphenylphosphino)ethane) secondary amine piperazine derived ligand disodium bis-(dithiocarbamate)piperazine ((piper(dtc)2 L1) counter anion PF6−. These characterized elemental analyses, FT-IR, 1H, 13C 31P NMR, UV-Vis. spectroscopy single crystal X-ray diffraction. The analyses reveal centrosymmetric structures where each centre adopts distorted square planar geometry defined two sulfur centres of dithiocarbamate phosphorus dppf ligands in Ni-I Ni-II, respectively. supramolecular framework both Ni-II are sustained C-H⋯π C-H⋯F interactions, they also display interesting intramolecular C-H⋯Ni anagostic interactions. Further, nature these interactions studied using Hirshfeld surface DFT quantum theory atoms molecules (QTAIM) calculations. Additionally, non-covalent interaction (NCI) plot conducted to gain additional insight into This work is vital a new approach towards rational designing architectures.