Nickel(II) complexes having different configurations controlled by N, N, O-donor Schiff-base ligands in presence of isothiocyanate as co-ligand: Synthesis, structures, comparative biological activity and DFT study. (24th November 2015)

• Record Type: Journal Article
• Authors: Adhikary, Jaydeep; Kundu, Priyanka; Dasgupta, Sanchari; Mukherjee, Sudeshna; Chattopadhyay, Sreya; Aullón, Gabriel; Das, Debasis
• Is Part Of: Polyhedron. Volume 101(2015)
• Page Start: 93
• Page End: 102
• Publication Date: 2015-11-24
• Subjects: Schiff base Ni(II) complex -- Square planar and octahedral geometry -- DFT study -- Bioactivity; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2015.07.055
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Isothiocyanate ligand along with NNO donor tridentate Schiff base ligand with pyrolidine moiety change the geometry of an octahedral Ni II complex into square planar one. The reaction pathway has been rationalized by DFT calculation. Bio-activity study reveals that square planar species has higher anticancer activity than the octahedral-species. Abstract: Four mononuclear nickel(II) complexes, viz. [NiL 1 (OAc)(H2 O)2 ]·2H2 O (1 ), [NiL 1 (NCS)(H2 O)2 ]·H2 O (1a ), [NiL 2 (OAc)(H2 O)] (2 ), and [NiL 2 (NCS)] (2a ) (where HL 1 = 2-[(2-Morpholin-4-yl-ethylimino)-methyl]-phenol and HL 2 = 2-[(2-Pyrrolidin-1-yl-ethylimino)-methyl]-phenol) have been synthesized and structurally characterized. Single crystal X-ray analysis reveals the presence of square planar coordination geometry about nickel for2a, whereas others have distorted octahedral geometry. DFT calculations have done to explore the origin of different geometries of1a and2a although their preparative procedure is same. The influence of different geometries i.e., octahedral and square-planar on the anticancer activity of Ni(II) have been investigated on Erhlich's ascities carcinoma (EAC) cells and the order of anticancer activity is2a > 1a > 2 > 1 . The biological results are further compared to the activity of cis -platin.