Experimental and theoretical comparative studies on two 2-pyrazoline derivatives

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 1, 2009, Pages 87-93

  Zhao, Pusu ^a   Li, Rongqing ^a   Wang, Hongyan ^a   Jian, Fangfang ^b   Guo, Huanmei ^b  

^a HUAIYIN NORMAL UNIVERSITY   (China)

^b Weifang College   (China)

Author keywords

Atomic charge distribution; Crystal structure; DFT calculation; Electronic spectra; Fluorescence spectra

Indexed keywords

4-METHYLPHENYL; ATOMIC CHARGE; ATOMIC CHARGE DISTRIBUTION; COMPARATIVE STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DFT METHOD; ELECTRON SPECTRUM; ELECTRONIC SPECTRA; ELEMENTAL ANALYSIS; FLUORESCENCE SPECTRA; NATURAL POPULATION; PHENYL RINGS; PYRAZOLINE DERIVATIVE; PYRAZOLINES; X-RAY SINGLE-CRYSTAL DIFFRACTION;

ATOMS; CHARGE DISTRIBUTION; CHARGED PARTICLES; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; FLUORESCENCE; FLUORESCENCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS;

ATOMIC SPECTROSCOPY;

1 PHENYL 3 (4 METHYLPHENYL) 5 (2,4 DICHLOROPHENYL) 2 PYRAZOLINE; 1 PHENYL 3 (4 METHYLPHENYL) 5 PHENYL 2 PYRAZOLINE; 1-PHENYL-3-(4-METHYLPHENYL)-5-(2,4-DICHLOROPHENYL)-2-PYRAZOLINE; 1-PHENYL-3-(4-METHYLPHENYL)-5-PHENYL-2-PYRAZOLINE; PYRAZOLE DERIVATIVE;

ARTICLE; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; CRYSTALLOGRAPHY; SPECTROSCOPY; THEORETICAL MODEL; THERMODYNAMICS;

CRYSTALLOGRAPHY; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PYRAZOLES; SPECTRUM ANALYSIS; THERMODYNAMICS;

EID: 68849122268     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.05.027     Document Type: Article

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