Molecular structures of antitumor active Pd(II) and Pt(II) complexes of N,N-donor benzimidazole methyl ester

[MLCl ₂]· zH ₂O·C ₂H ₅OH (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 (N _py) of benzimidazole and the secondary amino group (NH _sec). 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.