FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of 2-hydroxyquinoxaline

Journal of Molecular Structure

Volumn 963, Issue 2-3, 2010, Pages 194-201

  Yurdakul, Şenay ^a   Polat, Turgay ^a  

^a GAZI UNIVERSITY   (Turkey)

Author keywords

2 Hydroxyquinoxaline; DFT; Dimer form; Infrared spectra; Raman spectra; Tautomerism

Indexed keywords

BASIS SETS; BOND ANGLE; BOND DISTANCE; COMPUTATIONAL CALCULATIONS; DENSITY FUNCTIONAL COMPUTATIONS; DFT METHOD; DIHEDRAL ANGLES; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL DATA; FT-RAMAN SPECTRUM; INFRARED AND RAMAN SPECTRA; INFRARED SPECTRUM; MOLECULAR GEOMETRIES; PREDOMINANT TAUTOMER; RAMAN SPECTRA; RELATIVE ENERGIES; TAUTOMERIC FORMS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

ISOMERS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

INFRARED SPECTROSCOPY;

EID: 73649149340     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.10.035     Document Type: Article

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