B. Revathi, V. Balachandran, B. Raja
Aug 5, 2017
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0
Influential Citations
10
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Journal
Journal of Molecular Structure
Abstract
Abstract Primarily, the vibrational analysis of 4-chloro-3-(trifluoromethyl)aniline, 4-bromo-3-(trifluoromethyl)aniline and 4-fluoro-3-(trifluoromethyl)aniline are studied through an experiment by means that of Fourier Transform-Infrared and Fourier Transform-Raman techniques. The electrons both of donating and withdrawing effects on the structure of aniline and effects of substituent positions on the vibrational spectra of the title molecules in compared with similar reasonably molecules have also been illustrated. The details about hyperconjugation interactions, HOMO-LUMO energy gap, molecular electrostatic potential (MEP) surface analysis and thermodynamic functions are expected with the assistance of theoretical density functional theory computations.