Molecular structure and vibrational spectra of 3-amino-5-hydroxypyrazole by density functional method

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 5, 2009, Pages 1776-1782

  Swaminathan, J ^a   Ramalingam, M ^b   Sundaraganesan, N ^c  

^a PERIYAR MANIAMMAI UNIVERSITY   (India)

^b RAJAH SERFOJI GOVERNMENT COLLEGE AUTONOMOUS   (India)

^c ANNAMALAI UNIVERSITY   (India)

Author keywords

3 Amino 5 hydroxypyrazole; Density functional theories; FT Raman spectrum; FTIR spectrum; Vibrational spectra

Indexed keywords

AMINATION; AMINES; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FOURIER TRANSFORMS; MOLECULAR SPECTROSCOPY; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SECURITY OF DATA; VIBRATIONAL SPECTRA;

3-AMINO-5-HYDROXYPYRAZOLE; BASIS SETS; EXPERIMENTAL VALUES; FOURIER TRANSFORM INFRARED; FT-RAMAN SPECTRUM; FTIR SPECTRUM; FUNCTIONAL METHODS; GEOMETRICAL PARAMETERS; MOLECULAR GEOMETRIES; RAMAN SPECTRUMS; SPECTROGRAMS; VIBRATIONAL FREQUENCIES; VIBRATIONAL STRUCTURES;

INFRARED SPECTROSCOPY;

3 AMINO 5 HYDROXYPYRAZOLE; 3-AMINO-5-HYDROXYPYRAZOLE; PHENOL; PYRAZOLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; SPECTROSCOPY; VIBRATION;

CHEMISTRY, ANALYTICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHENOL; PYRAZOLES; SPECTRUM ANALYSIS; VIBRATION;

EID: 56149109952     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.06.044     Document Type: Article

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