Density functional theory studies on vibrational and electronic spectra of 2-chloro-6-methoxypyridine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 5, 2011, Pages 1625-1632

  Arjunan, V ^a   Isaac, A Suja Ravi ^b   Rani, T ^c   Mythili, C V ^d   Mohan, S ^e  

^a Kanchi Mamunivar Centre for Post Graduate Studies   (India)

^b MADURAI KAMARAJ UNIVERSITY   (India)

^c PRIST UNIVERSITY   (India)

^d Rani Anna Government College for Women   (India)

^e HAWASSA UNIVERSITY   (Ethiopia)

Author keywords

2 Chloro 6 methoxypyridine; DFT; FT Raman; FTIR

Indexed keywords

2-CHLORO-6-METHOXYPYRIDINE; B3LYP METHOD; BASIS SETS; CHLORINE ATOM; DFT; DFT METHOD; ELECTRONIC SPECTRUM; EXPERIMENTAL DATA; FORCE FIELDS; FOURIER TRANSFORM INFRARED; FT-RAMAN; FT-RAMAN DATA; FT-RAMAN SPECTRUM; FTIR; FUNDAMENTAL MODES; GRADIENT CALCULATIONS; MATRIX METHODS; METHOXY GROUP; NORMAL MODES OF VIBRATION; SPECTRAL CHARACTERISTICS; VIBRATIONAL AND ELECTRONIC SPECTRA; VIBRATIONAL ASSIGNMENT; VIBRATIONAL FREQUENCIES;

AROMATIC POLYMERS; CHLORINE; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORMS; RAMAN SPECTROSCOPY;

VIBRATION ANALYSIS;

PYRIDINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ELECTRONS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; PYRIDINES; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 79953029663     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.02.018     Document Type: Article

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