Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 107, Issue , 2013, Pages 72-81

  Karthick, T ^a   Balachandran, V ^b   Perumal, S ^c   Nataraj, A ^d  

^a Vivekanandha College for Women   (India)

^b A A Government Arts College   (India)

^c S T HINDU COLLEGE   (India)

^d Roever Engineering College   (India)

Author keywords

2 Chloro 5 (trifluoromethyl) aniline; Correlation graphs; HOMO LUMO; MEP surface; NBO; Vibrational spectra

Indexed keywords

CORRELATION GRAPHS; HOMO-LUMO; MEP SURFACES; NBO; TRIFLUOROMETHYL;

ENERGY GAP; FUNCTIONAL GROUPS; MOLECULES; ORBITAL CALCULATIONS; QUANTUM CHEMISTRY; SOLIDS; VIBRATIONAL SPECTRA;

ANILINE;

2 CHLORO 4 TRIFLUOROMETHYLANILINE; 2-CHLORO-4-TRIFLUOROMETHYLANILINE; ANILINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS;

ANILINE COMPOUNDS; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS;

EID: 84873723236     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.01.034     Document Type: Article

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