摘要
二苯醚两端苯环取向的量子化学研究＊叶世勇沈良骏（安徽师范大学化学系芜湖２４１０００）关键词二苯醚构象半经验量子化学方法主链含苯环的聚合物内苯环相对于主链角架面的取向与聚合物的某些力学性质如γ－松弛等直接有关。二苯醚是研究这类聚合物的一种有用的模型分子...
The orientation of two phenyl rings related to the plane composed of ether bridge in diphenyl ether has been studied by means of semi empirical quantum chemistry calculation and compaired with the relavant crystal structure data.The results indicated that two phenyls on the both sides of ether bridge are in a twist conformation.The rotation angles related to the plane of ether bridge are about (51°,51°).The methods of AM1 and PM3 give reasonable results whereas thos resulted from MNDO and MINDO/3 are unacceptable.
出处
《化学研究与应用》
CAS
CSCD
1996年第3期434-435,共2页
Chemical Research and Application
基金
安徽省教委基金
