Synthesis, molecular structure, electronic, spectroscopic, NLO and antimicrobial study of N-benzyl-2-(5-aryl-1,3,4-oxadiazol-2-yl)aniline derivatives
Journal of Molecular Structure(2022)
摘要
•Novel 2,5-disubstituted oxadiazole derivatives were synthesised.•Density functional theory method was used to complement the experiment.•TD-DFT was performed to have insights into the UV-Vis spectra.•The compounds were screened for their in vitro antibacterial activity.•The synthesized compounds exhibited moderate antibacterial and antifungal potential.
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关键词
DFT, UV-Vis,Vibrational,NLO,Antimicrobial
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