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

Devyani Srivastava, Om Prakash, Gabriele Kociok-Köhn, Abhinav Kumar, Abdullah Alarifi, Naaser A.Y. Abduh, Mohd Afzal, Mohd Muddassir

Research output: Contribution to journalArticlepeer-review

2 Citations (SciVal)

Abstract

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

Original languageEnglish
Article number343
JournalCrystals
Volume13
Issue number2
DOIs
Publication statusPublished - 17 Feb 2023

Bibliographical note

Funding Information:
The authors extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia, for funding this research work through the project number IFKSURG-2-1503.

Keywords

  • metal ions
  • NCI
  • reduced schiff-base
  • X-ray crystallography

ASJC Scopus subject areas

  • General Chemical Engineering
  • General Materials Science
  • Condensed Matter Physics
  • Inorganic Chemistry

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