Abstract Among the metal complexes, organotin(IV) complexes have emerged as promising candidates for the development of antitumor medications. The present study focuses on the synthesis and spectroscopic characterization of newly synthesized dimethyltin(IV) complexes, Me 2 SnL 1 A ( 1 ), Me 2 SnL 2 A ( 2 ), Me 2 SnL 3 A ( 3 ), and Me 2 SnL 4 A ( 4 ). The dimethyltin(IV) complex Me 2 SnL 4 A (complex 4 ), having halogenated substituted pyrazolone and benzofuran‐2‐carboxylic acid, was screened for cytotoxic activity against the human lung carcinoma cell line (A549) using the MTT assay. These dimethyltin(IV) complexes have been generated by the condensation reaction of dimethyltin dichloride with sodium salts of substituted pyrazolones LH and benzofuran‐2‐carboxylic acid AH in a 1:1:1 molar ratio. Structural elucidation of newly generated dimethyltin(IV) complexes has been carried out with the assistance of spectroscopic (IR, 1 H NMR, 13 C NMR, 119 Sn NMR) and mass spectral analysis. On the basis of spectroscopic data, a hexa‐coordinated geometry around the central tin atom has been proposed for newly generated dimethyltin(IV) complexes. The proposed geometries of complexes have been supported with the help of density functional theory (DFT) using B3LYP/6‐31G* functionals. The DFT calculations of dimethyltin(IV) complexes ( 1–4 ) provide the electronic properties, global reactivity descriptors, and the frontier molecular orbital analysis. The optimized geometries of synthesized complexes revealed that the tin atom has hexa‐coordinated atmosphere containing unsymmetrical Sn─O bond lengths with both ligands. The inhibition effect of complex 4 (Me 2 SnL 4 A) on the selected cell line was evaluated at different concentrations. The obtained IC 50 value (1.598 µg/mL) revealed that the investigated complex 4 exhibited marked cytotoxicity against the human lung carcinoma cell line A549.
Budania et al. (Fri,) studied this question.