Interplay of the intermolecular and intramolecular interactions in stabilizing the thione-based copper(I) complexes and their significance in protecting the biomolecules against metal-mediated oxidative damage

In this paper we have reported the synthesis, characterization, and X-ray structure of a series of mono, tri, and polynuclear copper complexes of N-substituted and N,N'-disubstituted benzimidazole-based thiones. NBO second-order perturbation energy calculations were carried out in order to get insight into the orbital contributions and strength of various non-bonded interactions prevalent in these newly synthesized copper complexes.