The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 1, 2007, Pages 150-159

  Doddamani, S B ^a   Ramoji, Anuradha ^a   Yenagi, Jayashree ^a   Tonannavar, J ^a  

^a KARNATAK UNIVERSITY   (India)

Author keywords

3 Chloro, 4 chloro and 5 chloro 2 methylphenyl isocyanates; Ab initio; DFT; Infrared; Raman

Indexed keywords

DEPOLARIZATION; NITROGEN COMPOUNDS; POTENTIAL ENERGY FUNCTIONS; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

3-CHLORO, 4-CHLORO AND 5-CHLORO-2-METHYLPHENYL ISOCYANATES; DEPOLARIZATION RATIOS; FORCE FIELD CALCULATIONS; INFRARED INTENSITIES;

DENSITY FUNCTIONAL THEORY;

ISOCYANIC ACID DERIVATIVE;

ARTICLE; CALORIMETRY; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

CALORIMETRY; ISOCYANATES; MODELS, MOLECULAR; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 33947692215     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.06.038     Document Type: Article

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