A Slightly Distorted Square Pyramidal Nickel(II) Complex: Synthesis, Characterizations, X-ray Crystal Structure, Anticancer Activity, Electrochemistry, DFT and Hirshfield Surface Studies of [NiCl(dppe)₂]Cl.CH₂Cl₂, dppe: 1,2-Bis(Diphenylphosphino)Ethane

Treatment of NiCl₂.6H₂O with two equivalents of 1,2-bis(diphenylphosphino)ethane (dppe) in MeOH/CH₂Cl₂ afforded [NiCl(dppe)₂]Cl.CH₂Cl₂ in 89% yield. The crystal structure has been determined by single crystal XRD, showing a slightly distorted square pyramidal geometry around nickel with the chloride ligand occupying the apical site. The basal plane thus comprises four phosphorus atoms from two dppe ligands. Preliminary in vitro anti-cancer activity has been assessed against Breast cancer cell (MCF7 cell line) and Lung cancer cell (A549 cell line) shows both cell lines are at 500 µg/ml, with an IC₅₀ value of 47 µg/ml, indicating good anticancer viability against the tested cell lines. The density functional theory (DFT) and Hirshfeld analysis were used to display the stability and molecular reactivity of the ligands and [NiCl(dppe)₂]Cl.CH₂Cl₂. The electrochemical behavior of the synthesized Ni(II) complex has been investigated by cyclic voltammetry in an aprotic solvent. Results reveal electro active properties.