摘要 采用密度泛函理论对聚对苯二甲酸丁二醇酯(PBT)进行了理论计算,对其分子结构进行了优化,获得了理论上的拉曼光谱图.同时,运用激光共焦显微拉曼光谱仪对聚对苯二甲酸丁二醇酯进行了室温和变温条件下的测量,得到其实验拉曼光谱.通过对其理论拉曼光谱和实验拉曼光谱的对比和分析,并进行分子振动光谱的归属,从而得到聚对苯二甲酸丁二醇酯内部化学基团的振动信息. In this paper,the density functional theory was used to calculate the polybutylene terephthalate,the theoretical Raman spectrum was obtained by optimizing the molecular structure.At the same time,the experimental Raman spectra of polybutylene terephthalate were measured by laser confocal microscopic.Raman spectrometer at room temperature and variable temperature.Through the comparison and analysis of its theoretical Raman spectrum and experimental Raman spectrum,the vibration information of the chemical groups inside polybutylene terephthalate was obtained.
机构地区 伊犁师范大学物理科学与技术学院
出处 《伊犁师范学院学报:自然科学版》 2020年第4期24-30,共7页 Journal of Yili Normal University:Natural Science Edition
基金 新疆优秀青年科技人才培养项目(2017Q038).
分类号 O641.1 [理学—物理化学]
