Synthesis, Structural Elucidation, Density Functional Theory Calculations, In Vitro Antimicrobial, Anti‐Inflammatory and Anticancer Activities of Novel Zn (II)‐Group Fourteen Heterobimetallic Complexes Derived From Schiff Base Ligand

ABSTRACT In the present work, new heterobimetallic complexes with the general formula [Zn(C 16 H 32 N 8 )M 2 (R) 4 Cl 2 ], where M = Sn (IV) and Si (IV) and R = ‐CH 3 and ‐C 6 H 5 , were synthesized by reacting the methanolic solution of the monometallic complex [Zn(C 16 H 36 N 8 )Cl 2 ] with group 14 organometallic dichloride [(CH 3 ) 2 SnCl 2 /(C 6 H 5 ) 2 SnCl 2 /(CH 3 ) 2 SiCl 2 /(C 6 H 5 ) 2 SiCl 2 ]. The structures of the synthesized complexes were determined using several spectrometric techniques, including FT‐IR, 1 H NMR, 13 C NMR, 119 Sn NMR, 29 Si NMR, ESI‐MS, PXRD, and molar conductivity measurements. Density functional theory (DFT) calculations were carried out to investigate the quantum chemical characteristics of the newly synthesized Zn (II) complexes. The antimicrobial potential of the monometallic and heterobimetallic complexes was evaluated against two Gram‐positive bacteria ( Bacillus subtilis and Bacillus cereus ), two Gram‐negative bacteria ( Xanthomonas campestris and Pseudomonas aeruginosa ), and two fungal strains ( Aspergillus flavus and Fusarium oxysporum ) by the agar well diffusion method, with heterobimetallic complex [Zn(C 16 H 32 N 8 )Sn 2 (C 6 H 5 ) 4 Cl 2 ] as the most potent complex against microbes. The complex [Zn(C 16 H 32 N 8 )Sn 2 (C 6 H 5 ) 4 Cl 2 ] exhibited significant potential in inhibiting inflammation, demonstrating an IC 50 value of 9.75 μg/mL, which closely rivals that of the standard drug sodium diclofenac (IC 50 = 4.59 μg/mL). Furthermore, all the synthesized compounds were assessed for their anticancer potential against three cancer cell lines (HCT‐116, MCF‐7, and HeLa) by the MTT assay. The results indicated that the complex [Zn(C 16 H 32 N 8 )Sn 2 (C 6 H 5 ) 4 Cl 2 ] exhibited the most pronounced cytotoxic effects, with values of 4.25 ± 0.15 μM, 4.90 ± 0.18 μM, and 5.20 ± 0.24 μM observed for HCT‐116, MCF‐7, and HeLa cancer cell lines, respectively.