Two novel analogous Ni(II) and Cd(II) complexes of an imidazole based Schiff base obtained from imidazole-4-carbaldehyde and 2-aminophenol

Abstract

A new imidazole-based Schiff base, 2-((1H-imidazol-4-yl) methyleneamino) phenol and dichlorobis(2((1H-imidazol-4-yl) methyleneamino)-phenol)metal(II) complexes (M: Ni, Cd) [Ni(H2L)(2)Cl-2] (1) and [Cd(H2L)(2)Cl-2] (2) have been prepared and characterized by X-ray diffraction, Elemental analyses, GCMS and IR spectroscopy techniques. The structural properties of the title complexes have been further investigated by DFT calculations. The analogous complexes have been found to be configurationally different from each other. With the influences of intermolecular hydrogen bonds, complex 2, in cis configuration has revealed an intriguing structural motifs with large solvent accessible voids that are otherwise absent in trans-configurated complex 1 which consists of the similar types of intermolecular contacts e. g. the similar intermolecular hydrogen bonds and C-H. . . pi interactions. The structural properties of free ligand and the complexes have been significantly rationalized by DFT calculations and the general trends observed in the experimental data have been successfully reproduced by the calculated ones. (C) 2013 Elsevier B.V. All rights reserved.