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．
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.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1995年第11期1767-1770,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
构象
联苯基
苄基
硫代磷酸酯
有机磷酸酯
农药
Conformation studies,ASED-MO,O,O′-2,2′-bisbenzo,S-benzyl dithiophosphate
