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Volumn 78, Issue 1, 2011, Pages 429-436
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FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations
a
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Author keywords
4 Chloro 2 fluoro toluene; FTRaman; HF and DFT; Vibrational frequencies
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Indexed keywords
4-CHLORO-2-FLUORO TOLUENE;
AB INITIO;
DEPOLARIZATION RATIO;
EXPERIMENTAL OBSERVATION;
EXPERIMENTAL VALUES;
FT-RAMAN;
FTIR AND FT-RAMAN SPECTRA;
HARMONIC VIBRATIONAL FREQUENCIES;
HF AND DFT;
IR INTENSITIES;
NON-LINEARITY;
NORMAL MODES OF VIBRATION;
OPTIMIZED STRUCTURES;
RAMAN ACTIVITIES;
SIMULATED SPECTRA;
SOLID SAMPLES;
VIBRATIONAL FREQUENCIES;
VIBRATIONAL MODES;
WAVE NUMBERS;
AROMATIC POLYMERS;
BENZENE;
RAMAN SPECTROSCOPY;
TOLUENE;
MOLECULAR VIBRATIONS;
4 CHLORO 2 FLUORO TOLUENE;
4-CHLORO-2-FLUORO TOLUENE;
DRUG DERIVATIVE;
TOLUENE;
ARTICLE;
CHEMICAL MODEL;
CHEMISTRY;
CONFORMATION;
INFRARED SPECTROSCOPY;
QUANTUM THEORY;
RAMAN SPECTROMETRY;
VIBRATION;
MODELS, CHEMICAL;
MOLECULAR CONFORMATION;
QUANTUM THEORY;
SPECTROSCOPY, FOURIER TRANSFORM INFRARED;
SPECTRUM ANALYSIS, RAMAN;
TOLUENE;
VIBRATION;
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EID: 78650708137
PISSN: 13861425
EISSN: None
Source Type: Journal
DOI: 10.1016/j.saa.2010.11.005 Document Type: Article |
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Times cited : (30)
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References (72)
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