Spectroscopy Letters

A comprehensive study on infrared spectra of 2-hydroxyxanthone

R Qu, Q Zhang, X Zhang, Z Wang

文献索引：Qu, Ruijuan; Zhang, Qi; Zhang, Xuesheng; Wang, Zunyao Spectroscopy Letters, 2012 , vol. 45, # 4 p. 240 - 245

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被引用次数: 2

摘要

ABSTRACT A study on the IR spectra of 2-hydroxyxanthone that was both experimental and theoretical was carried out in this work. The optimized structure and related spectral parameters were obtained by using the Becke-3-Lee-Yang-Parr (B3LYP) method with the 6- 31G* and 6-311G** basis sets. The corresponding geometrical parameters were compared with each other. Detailed assignments of the vibration frequencies were performed. The ...