高等学校化学学报

高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (11): 1767.

• 论文 • 上一篇    下一篇

O,O′-2,2′-联苯基,S-苄基二硫代磷酸酯分子的构象研究

郭洪猷, 任新刚, 曹维良, 王作新   

  1. 北京化工大学, 应用化学系, 100029
  • 收稿日期:1994-11-09 修回日期:1995-04-14 出版日期:1995-11-24 发布日期:1995-11-24
  • 通讯作者: 王作新
  • 作者简介:郭洪猷,男,56岁,副教授.
  • 基金资助:

    国家自然科学基金

The Study on Conformation of O,O′-2,2′-Bisbenzo,S-benzyl Dithiophosphate

GUO Hong-You, REN Xin-Gang, CAO Wei-Liang, WANG Zuo-Xin   

  1. Department of Applied Chemistry, Beijing University of Chemical Technology, Beijing, 100029
  • Received:1994-11-09 Revised:1995-04-14 Online:1995-11-24 Published:1995-11-24

PDF (PC)

摘要： 本文用ASED-MO法研究了O,O′-2,2′-联苯基,S-苄基二硫代磷酸酯单个分子的构象,得到4种低能构象。分析了常温下4种构象的分布,稳定构象之间的转化以及与晶态分子构象之间的关系。

关键词: 构象研究, ASED-MO法, O, O&prime, -2, 2&prime, -联苯基, S-苄基二硫代磷酸酯

Abstract: The energies and conformations of single molecule of the title compound have been investigated by using ASED-MO method.Four stable conformations corresponding to different minima on the potential surface were obtained.The theoretical analysis has been made for the distributions and transformations of the four stable conformations and the relationship between single molecule and that in crystal.

Key words: Conformation studies, ASED-MO,O,O′-2,2′-bisbenzo, S-benzyl dithiophosphate

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