Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 5, 2009, Pages 1260-1267

  Hiremath, C S ^a   Sundius, Tom ^b  

^a P C JABIN SCIENCE COLLEGE   (India)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

2 Bromo 5 fluorobenzaldehyde (BFB); Ab initio; DFT; FT IR; FT Raman; Normal coordinate analysis; Vibrational spectra

Indexed keywords

AROMATIC POLYMERS; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR VIBRATIONS; PLANTS (BOTANY); VIBRATIONAL SPECTRA;

2-BROMO-5-FLUOROBENZALDEHYDE (BFB); AB INITIO; DEPOLARIZATION RATIO; ELECTRONIC STRUCTURE CALCULATIONS; FORCE FIELD CALCULATIONS; FT-RAMAN; HARMONIC VIBRATIONAL FREQUENCIES; NORMAL COORDINATE ANALYSIS;

CALCULATIONS;

2 BROMO 5 FLUOROBENZALDEHYDE; 2-BROMO-5-FLUOROBENZALDEHYDE; BENZALDEHYDE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROSCOPY; KINETICS; RAMAN SPECTROMETRY; ROTATION; VIBRATION;

BENZALDEHYDES; ELECTRONS; KINETICS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; ROTATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 75549086933     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.09.057     Document Type: Article

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