原子与分子物理学报Issue(5)：733-740,8.DOI:103969/j.issn.1000-0364.2015.10.004
2-氯-5-三氟甲基苯胺水杨醛Schiff碱的结构及光谱性质研究
Investigation of structure and vibrational spectroscopy properties of 2-chloro-5-trifluoromethylaniline salicylaldehyde Schiff base
摘要
Abstract
2-Chloro-5-trifluoromethylaniline salicylaldehyde Schiff base was synthesized with 2-chloro-5-trifluoromethylaniline and salicylaldehyde as raw materials, It is characterized by IR and 1 HNMR in the exper-iment. The optimization of the geometries and the calculation of IR of synthetic Schiff bases were performed by Density Functional Theory (DFT) B3LYP method at the 6-311+ +G∗∗basis set, and the optimized conforma-tions, the frequencies and the corresponding infrared intensities of Schiff base compounds were obtained. The ex-perimental and theoretical calculated spectral data were compared , the vibrational modes were assigned and dis-cussed. it is found that the calculated results were in good agreement with the experimental results.关键词
2-氯-5-三氟甲基苯胺/水杨醛/Schiff碱/DFT/振动光谱Key words
2-chloro-5-trifluoromethylaniline/Salicylaldehyde/Schiff base/DFT/Vibration spectrum分类
化学化工引用本文复制引用
孟德素,卢金凤..2-氯-5-三氟甲基苯胺水杨醛Schiff碱的结构及光谱性质研究[J].原子与分子物理学报,2015,(5):733-740,8.基金项目
山东省教育厅高校科研发展计划项目(J11LB58) （J11LB58）
菏泽学院科研基金项目(XY13KJ08) （XY13KJ08）
