Evaluation of coordination chemistry and structure‐antioxidant efficacy of some di and tributyl tin(IV) complexes derived from nitrogen, oxygen‐containing organic ligands

Abstract Thermodynamic characteristics, molecular electrostatic potential, optimal structures, and quantum chemical descriptors of various di‐and tributyltin(IV) complexes were provided by the computational modeling. DFT assesses these organic‐inorganic hybrid tin(IV) complexes’ coordination chemistry and structural diversity. The current work uses computational modeling to visualize tin(IV) complexes at the molecular level. The organic modifiers that make up the complex's constituent parts determine the antioxidant capacity of the compound. The antioxidant potential of dibutyltin(IV) complexes of flexible N‐protected amino acids and ketoxime possess general formula Bu2SnAO, where [where R = ─CH 3 ; ─CHR─ = ─CH 2 CH 2 ─; R = −CH 2 C 6 H 5 ; R = −CH(CH 3 ) 2 ] and OH = R 1 R 2 C = NOH or [where R 1 = R 2 = ─CH 3 ; R 1 = ─CH 3 , R 2 = ─C 6 H 5 ; R 3 = ─C 5 H 10 ‐; R 3 = ─(C 6 H 4 )NHC(O)─] were investigated by DPPH method. Another series of tributyltin(IV) complexes with Schiff bases of heterocyclic β‐diketones having general formula Bu3SnL [where LH = with R = ─CH 3 , ─C 6 H 5 , ─C 6 H 4 Cl(p) and Ζ = ─C 6 H 5 , ─C 6 H 4 Cl(m), ─C 6 H 4 Cl(p)] were exhibit antioxidant potential. Analysis was done to evaluate the different structural scaffolds of di‐and tributyltin(IV) complexes, which provide the antioxidant potential to these complexes. The objective of the current work is to correlate the structural‐activity relationship of the di‐and tributyltin(IV) complexes. Utilizing the DPPH radical, these complexes exhibit free radical scavenging action. The IC‐50 values indicate that as compared to tributyltin(IV) complexes, mixed ligand dibutyltin(IV) complexes have greater antioxidant potential.