高等学校化学学报 ›› 1994, Vol. 15 ›› Issue (3): 415.

• 论文 • 上一篇    下一篇

固体C60中取向运动模型与结构相变温度的计算

辛厚文, 杨灵法   

  1. 中国科学技术大学近代化学系, 结构分析开放实验室, 合肥, 230026
  • 收稿日期:1993-06-12 修回日期:1993-10-27 出版日期:1994-03-24 发布日期:1994-03-24
  • 通讯作者: 辛厚文,男,58岁,教授.
  • 作者简介:辛厚文,男,58岁,教授.
  • 基金资助:

    国家自然科学基金

Molecular Orientational Motion Models and Calculation of Structural Phase Transitions Temperature in Solid C60

XIN Hou-Wen, YANG Ling-Fa   

  1. Department of Modern Chemistry, University of Science and Technology of China, Structural Research Laboratory, Academic Sinica, Hefei, 230026
  • Received:1993-06-12 Revised:1993-10-27 Online:1994-03-24 Published:1994-03-24

摘要: 提出了不同温度范围内固体C60分子取向运动模型,从微观上探索了取向相变发生的原因,并根据这些模型计算了面心立方及取向玻璃态的转变温度Tc及Tg,结果与实验颇相符合。

关键词: 固体C60, 取向相变, 一级相变温度, 玻璃态转变

Abstract: The molecular orientational motion models in different regions of temperature have been proposed in solid C60 to study the mechanism of orientational phase transitions.In terms of these models, the temperatures Tc and Tg are calculated for the transition from facecentred-cubic to simple-cubic lattice and the glass transition respectively, which agree well with the results of experiments.

Key words: Solid C60, Orientational phase transition, First-order phase transition temperature, Glassy transition

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