Molecular structure and vibrational spectra of 2- and 5-methylbenzimidazole molecules by density functional theory

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 76, Issue 2, 2010, Pages 107-114

  Güllüoglu, M Tahir ^a   Özduran, Mustafa ^a   Kurt, Mustafa ^a   Kalaichelvan, S ^b   Sundaraganesan, N ^c  

^a AHI EVRAN UNIVERSITY   (Turkey)

^b AA Govt Arts College   (India)

^c ANNAMALAI UNIVERSITY   (India)

Author keywords

2 Methylbenzimidazole and 5 methylbenzimidazole; Density functional theory; Infrared spectra; Raman spectra

Indexed keywords

BASIS SETS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL METHODS; FTIR AND FT-RAMAN SPECTRA; INFRARED SPECTRA; INFRARED SPECTRUM; MINIMUM-ENERGY STRUCTURES; MOLECULAR GEOMETRIES; NORMAL MODES; RAMAN SPECTRA; TOTAL ENERGY DISTRIBUTIONS; VIBRATIONAL FREQUENCIES; VIBRATIONAL PROBLEMS;

INFRARED SPECTROSCOPY; MOLECULES; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

2 METHYLBENZIMIDAZOLE; 2-METHYLBENZIMIDAZOLE; 5 METHYLBENZIMIDAZOLE; 5-METHYLBENZIMIDAZOLE; BENZIMIDAZOLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

BENZIMIDAZOLES; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 77953478001     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.02.032     Document Type: Article

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