物理化学学报 >> 1991, Vol. 7 >> Issue (01): 77-81.doi: 10.3866/PKU.WHXB19910112

研究论文 上一篇    下一篇

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

杨清传; 李一莉; 唐有祺; 傅亨   

  1. 北京大学物理化学研究所;中国科学院化学研究所
  • 收稿日期:1989-09-21 修回日期:1990-06-02 发布日期:1991-02-15
  • 通讯作者: 杨清传

Study on the Thermal Motion N-Phenylphthalimide and 2-Phenylquinoxaline in Solid State

Yang Qing-Chuan; Li Yi-Li; Tang You-Qi; Fu Heng   

  1. Institute of Physical Chemistry, Peking University; Institute of Chemistry, Academia Sinica
  • Received:1989-09-21 Revised:1990-06-02 Published:1991-02-15
  • Contact: Yang Qing-Chuan

摘要: 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。

关键词: N-苯基苯二甲酰亚胺, 2-苯基喹噁啉, 晶体结构, 晶体分子热振动分析

Abstract: 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 .

Key words: N-phenylphthalimide, 2-Phenylquinoxaline, Crystal Structure, Crystal molecular thermal motion