Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-mercaptopropanoic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 68, Issue 1, 2007, Pages 85-93

  Ye, Yong ^a   Ruan, Min ^a,b   Song, Yuanzhi ^a,b   Li, Yue Ying ^a   Xie, Wei ^c  

^a HUBEI UNIVERSITY   (China)

^b Jiangsu Province   (China)

^c WUHAN UNIVERSITY   (China)

Author keywords

2 (4 Fluorobenzylideneamino) 3 mercaptopropanoic acid; DFT and HF calculations; IR; Raman

Indexed keywords

DFT AND HF CALCULATIONS; VIBRATIONAL WAVENUMBERS;

GROUND STATE; ORGANIC ACIDS; REACTION KINETICS; VIBRATIONAL SPECTRA; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

2 (4 FLUOROBENZYLIDENEAMINO) 3 MERCAPTOPROPANOIC ACID; 2-(4-FLUOROBENZYLIDENEAMINO)-3-MERCAPTOPROPANOIC ACID; 3 MERCAPTOPROPIONIC ACID; DRUG DERIVATIVE; NITROGEN; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; INFRARED SPECTROSCOPY; METHODOLOGY; NORMAL DISTRIBUTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY; THERMODYNAMICS; VIBRATION;

3-MERCAPTOPROPIONIC ACID; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NITROGEN; NORMAL DISTRIBUTION; SOLVENTS; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 34547677802     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.11.005     Document Type: Article

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