Abstract
C6H5Se−Na+ (generated in situ by NaBH4 reduction of (C6H5Se)2) on reaction with ClC3H6C4H8N2ClC6H5 under N2 atmosphere results in C6H5SeC3H6C4H8N2ClC6H5 (L) as a cream-colored solid. Its 1:1 metal complexes having the general formula [MLX2], where M = Zn, Cd, Hg, and X = Cl, have been prepared. Ligand L and its complexes 1–3 are characterized on the basis of physico-chemical and spectral (FT-IR, ESI Mass, 1H, 13C, DEPT 135° 13C {1H}, and 77Se{1H} NMR) studies. IR spectroscopy revealed that L is coordinated solely through selenium and nitrogen to zinc, cadmium, and mercury ions forming a six-membered chelate ring around M(II) ions. Elemental analysis measurements along with 1H, 13C, DEPT 135° 13C {1H}, and ESI-mass data also confirm the bidentate coordination mode of the ligand. Moreover, the coordination from selenium atom is also supported by the downfield shift of signal in 77Se{1H} NMR spectroscopy. Using DFT-based optimization of structures, the HOMO-LUMO energy gaps and molecular electrostatic potential surface of ligand L and complexes 1–3 were theoretically calculated at the B3LYP/LANL2DZ level of theory. Ligand L and complexes 1–3 display significant antibacterial and antifungal activity.
Graphical Abstract
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Acknowledgments
The authors are very thankful to IIIM Srinagar and IIT Delhi for 1H, 13C, DEPT 135° 13C, 77Se NMR, and elemental analysis. We are also thankful to Department of Chemistry, Dr. H.S. Gour University, Sagar for IR analysis and SIAF IIT Kanpur for mass analysis.
Disclosure statement
No potential conflict of interest was reported by the authors.