N-苯基苯二甲酰亚胺和2-苯基喹噁啉晶态分子动力学行为研究

STUDY ON THE THERMAL MOTION N-PHENYLPHTHALIMIDE AND 2- PHENYLQUINOXALINE IN SOLID STATE

本文在晶体结构分析的基础上,对二个芳香杂环高聚物模型化合物N-苯基苯二甲酰亚胺和2-苯基喹噁啉分子的原子热振动参数进行分析,结果表明N-苯基苯二甲酰亚胺晶态分子基本上为刚性分子,而2-苯基喹噁啉分子的热振动应包含分子内取代苯基的内旋转运动,其平均平方振幅为53(25)deg^2。

On the basis of the data of single crystal structure analysis, the thermal motion analysis for the crystal molecules of N-phenylphthalimide (Ⅰ) and 2-phenylquinoxaline (Ⅱ) was carried out. It is shown that in solid state the molecule of compound I behaves dynamicaly as a rigid molecule and an intramolecular vibration of the substitued pheny group with <ω~2> = 53(25)deg.~2 around C(8)—C(9) should be included in the molecular thermal motion of compound Ⅱ .