Journal
POLYHEDRON
Volume 209, Issue -, Pages -Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2021.115487
Keywords
Organostannoxanes; Organotin carboxylates; Antibacterial activity; Density functional theory; Single crystal x-ray crystallography
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Funding
- SERB EMEQ [EEQ/2020/000588]
- SERBECR Project [ECR/2016/001262]
- IIT Jodhpur, SEED Grant [I/SEED/RKM/20170008]
- DST, New Delhi [DST/INSPIRE/04/2017/000249]
- MHRD
- CSIR
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Three organostanoxanes with different nuclearities were synthesized using different organotin precursors, showing hexanuclear, dinuclear, and tetranuclear structures. The antibacterial activity and HOMO-LUMO gap of these complexes are correlated, with complex 3 exhibiting better antibacterial activity.
Di-, Tetra- and Hexanuclear Organostanoxanes were obtained from the organotin precursors such as (RSnCl3; R = 2-phenylazophenyl) and diorganotin precursor (R2SnCl2; R = 2-phenylazophenyl) having intramolecular N -> Sn coordination. RSnCl3 on complete hydrolysis followed by reaction with benzoic acid in different stoichiometry in refluxing dry toluene afforded a hexanuclear [RSn(mu 2-O)(mu 2-O2CPh]6 center dot 4PhCH3 (1) and a dinuclear [(RSn)2(mu 2O)(mu 2-O2CPh)2(kappa 2-O2CPh)2]center dot PhCH3 (2) monoorganostannoxane clusters. While diorganotin precursor (R2SnCl2; R = 2-phenylazophenyl) on complete hydrolysis in the presence of NaOH afforded a tetranuclear diorganostannoxane macrocycle [R2Sn(mu 2-O)]4 (3). Single crystal x-ray diffraction analyses revealed that all the three complexes consist Sn centers in different coordination environment acquiring distorted octahedral, distorted pentagonal bipyramidal and distorted trigonal bipyramidal geometry respectively. Complexes 1-3 are further studied for their antibacterial activity which revealed complex 3 shows better antibacterial activity compared to the other complexes. From the DFT studies, we have found that the order of biological activity and HOMO-LUMO gap for these complexes are in similar order (3 > 1 > 2) which suggests that the biological activity and HOMO-LUMO gap are well correlated with each other for these complexes.
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