Abstract
[MLCl2] · zH2O · C2H5OH (L = 2-[(1H-benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester; M = Pd, z = 2; M = Pt, z = 0) complexes were synthesized as potential antitumor compounds and their structures were elucidated by elemental analysis and spectroscopic data. Theoretical molecular structures were investigated by the DFT/B3LYP method using the LANL2DZ basis set. The calculated molecular parameters, bond distances, and angles, revealed a square-planar geometry around the metal through pyridine-type nitrogen (Npy) of benzimidazole and the secondary amino group (NHsec). The lone pair interaction LP(2)O48 of ethanol with anti-bonding σ*(C(16)–H(29)) is an evidence for charge transfer from ethanol to platinum. The electronic movement and assignment of electronic spectra were carried out by TD-DFT calculations. The ligand in comparison to its metal complexes was screened for antibacterial activity and cytotoxicity.
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