高等学校化学学报 ›› 1998, Vol. 19 ›› Issue (9): 1492.

• 研究快报 • 上一篇    下一篇

杯芳烃构象的分子力学研究

余晓冬, 吴采樱   

  1. 武汉大学化学学院, 武汉, 430072
  • 收稿日期:1998-02-25 出版日期:1998-09-24 发布日期:1998-09-24
  • 通讯作者: 吴采樱
  • 作者简介:余晓冬,男,25岁,博士研究生.
  • 基金资助:

    国家自然科学基金(批准号:29475201)资助课题.

Molecular Mechanics Study on Conformation of Calixarenes

YU Xiao-Dong, WU Cai-Ying   

  1. College of Chemistry, Wuhan University, Wuhan, 430072
  • Received:1998-02-25 Online:1998-09-24 Published:1998-09-24

关键词: 杯芳烃, 分子力学计算, 构象分析

Abstract: In this paper, molecular mechanics method was used to investigate the conformations of six calix[4]arene derivatives. The results show that the amount of hydrogen bonds has an effect on the conformations of calix[4] arene. The conformation of the tetra-substituted calix[4] arene was determined by the conformation of the reaction intermediate.

Key words: Calix[4] arene, Molecular mechanics calculation, Conformational analysis

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