Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino)antipyrine, 4-benzylideneaminoantipyrine and 4-cinnamilideneaminoantipyrine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 5, 2009, Pages 892-901

  Sun, Yu Xi ^a,b   Hao, Qing Li ^a   Yu, Zong Xue ^a   Jiang, Wen Jun ^a   Lu, Lu De ^a   Wang, Xin ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

Author keywords

Antipyrine derivatives; DFT calculations; FT IR and Raman spectra; Thermodynamic properties; Vibrational analysis

Indexed keywords

ANTIPYRINE DERIVATIVES; B3LYP METHOD; BASIS SETS; DENSITY FUNCTIONAL; DFT CALCULATIONS; ENTHALPY CHANGE; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FT-IR AND RAMAN SPECTRA; HARMONIC FREQUENCY; HEAT CAPACITIES; INFRARED INTENSITY; IR AND RAMAN SPECTROSCOPY; IR SPECTRUM; MOLECULAR GEOMETRIES; QUANTUM CHEMICAL CALCULATIONS; RAMAN SPECTRA; SCHIFF-BASE; THEORETICAL RESULT; THEORETICAL STUDY; VIBRATIONAL ANALYSIS; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES; XRD;

DENSITY FUNCTIONAL THEORY; MOLECULAR SPECTROSCOPY; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RAMAN SCATTERING; SULFUR COMPOUNDS; THERMODYNAMIC PROPERTIES;

RAMAN SPECTROSCOPY;

DRUG DERIVATIVE; PHENAZONE;

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

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

EID: 67649472451     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.04.012     Document Type: Article

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