Theoretical and experimental study of the conformational, structural analysis and vibrational spectra of 1,2-bis(1,2,4-triazole-1-yl)ethane

Journal of Molecular Structure

Volumn 691, Issue 1-3, 2004, Pages 159-163

  Li, Baozong ^a   Zhu, Xia ^a   Li, Baolong ^a   Zhang, Yong ^a  

^a SOOCHOW UNIVERSITY   (China)

Author keywords

1,2,4 triazole; Ab initio; Conformation; Density functional theory; IR spectra; Structural analysis

Indexed keywords

1,2 BIS(1,2,4 TRIAZOL 1 YL)ETHANE; ALKANE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANISOTROPY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; GEOMETRY; INFRARED SPECTROMETRY; SPECTROSCOPY; STRUCTURE ANALYSIS; THEORETICAL MODEL; X RAY ANALYSIS;

EID: 1342302259     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.12.008     Document Type: Article

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