Geometrical parameters, vibrational wavenumbers, and relationships established with six difluorobenzonitriles

International Journal of Quantum Chemistry

Volumn 107, Issue 5, 2007, Pages 1099-1114

  Rastogi, V K ^a   Palafox, M A ^b   Singhal, Surabhi ^a   Ojha, S P ^a   Kiefer, W ^c  

^a CH CHARAN SINGH UNIVERSITY   (India)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

DFT methods; Difluorobenzonitrile; FT IR spectra; Raman spectroscopy

Indexed keywords

DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; PARAMETER ESTIMATION; RAMAN SPECTROSCOPY; SUBSTITUTION REACTIONS; THERMODYNAMIC PROPERTIES; VIBRATIONAL SPECTRA;

BENZONITRILE (BN); DIFLUOROBENZONITRILES; MOIETIES; WAVENUMBERS;

AROMATIC COMPOUNDS;

EID: 33847735508     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21210     Document Type: Article

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