Physical, chemical and antibacterial properties of 1-methyl-3-(4-vinylbenzyl) imidazol-3-ium chloride ionic liquid: Experimental and ab-initio analysis

Journal of Molecular Structure(2023)

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摘要
•Ionic fluid was synthesized and identified by spectroscopic methods.•Spectroscopic data were confirmed theoretically.•The molecular structure was optimized and compared to pristine molecular materials.•Quantum chemical parameters were in good correlation with experimental results.•The ionic fluid was evaluated for its antibacterial performance.
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关键词
Ionic liquid material,DFT calculations,Non-linear optic,Antibacterial activity
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