FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of α,α dichlorotoluene

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 2, 2009, Pages 277-280

  Nagabalasubramanian, P B ^a   Periandy, S ^b   Mohan, S ^c   Govindarajan, M ^d  

^a Arignar Anna Government Arts and Science College   (India)

^b Tagore Arts College   (India)

^c PRIST UNIVERSITY   (India)

^d Avvaiyar Government College for Women   (India)

Author keywords

, Dichlorotoluene; Ab initio; Density functional theory; FT Raman spectrum; FTIR spectrum; Vibrational spectra

Indexed keywords

AB INITIO; COMBINATION BANDS; DENSITY-FUNCTIONAL THEORIES; FT RAMAN SPECTRUM; FT-IR AND FT-RAMAN SPECTRUM; FTIR SPECTRUM; FUNDAMENTAL BANDS; FUNDAMENTAL VIBRATIONS; GEOMETRICAL PARAMETERS; HF/6-31G; INFRARED AND RAMAN SPECTRUM; NORMAL COORDINATE ANALYSIS; PEAK POSITIONS; PERKINELMER; POINT-GROUP SYMMETRIES; RELATIVE INTENSITIES; SCALE FACTORS; SPECTRAL ANALYSIS; TITLE COMPOUNDS; VIBRATIONAL ASSIGNMENTS; VIBRATIONAL FREQUENCIES;

FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

CHLORINE DERIVATIVE; TOLUENE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

CHLORINE COMPOUNDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; TOLUENE; VIBRATION;

EID: 67349162143     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.02.044     Document Type: Article

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