Experimental FTIR, FT-IR (gas phase), FT-Raman and NMR spectra, hyperpolarizability studies and DFT calculations of 3,5-dimethylpyrazole

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 3, 2009, Pages 788-797

  Sundaraganesan, N ^a   Kavitha, E ^a   Sebastian, S ^a   Cornard, J P ^b   Martel, M ^c  

^a ANNAMALAI UNIVERSITY   (India)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^c UNIV LILLE   (France)

Author keywords

3,5 Dimethylpyrazole; 13C; 1H; DFT; Hyperpolarizability; IR; IR (gas phase); NMR; Raman

Indexed keywords

3,5-DIMETHYLPYRAZOLE; 13C; 1H; DFT; HYPERPOLARIZABILITY; IR; IR (GAS PHASE); NMR; RAMAN;

ELECTRIC DIPOLE MOMENTS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GASES; METHOD OF MOMENTS; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

3,5 DIMETHYLPYRAZOLE; 3,5-DIMETHYLPYRAZOLE; PYRAZOLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PYRAZOLES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 70249116406     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.08.019     Document Type: Article

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