| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1230670 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 10 Pages |
Abstract
⺠Vibrational spectroscopic studies of 2-chloro-5-(trifluoromethyl) aniline were carried out. ⺠HOMO-LUMO energy gap, electrostatic potential and thermodynamic parameters were performed. ⺠NBO analysis provides information about delocalization of charge and electron density of atoms. ⺠Theoretical spectrograms were simulated and compared with the experimental FT-IR and FT-Raman. ⺠Correlations of temperature dependence thermodynamic parameters were studied.
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Authors
T. Karthick, V. Balachandran, S. Perumal, A. Nataraj,