摘要
本文研究了７０个二螺三哌嗪，双哌嗪和单哌嗪类化合物的红外光谱，发现此类化合物在９７０～１０２５ｃｍ－１和８７０～９２０ｃｍ－１均有一吸收峰，可将这两个峰作为鉴别环状季铵盐类化合物的重要参考；本文还研究了取代基大小对羰基的影响．
Semi emperical MNDO method is used for calculating three compounds in rabdoserrin, The molecular orbitals and their energies, bond orders, atomic charges are obtained It is concluded that some atomic orbitals in α methylene cyclopentanone active zone make the πLUMO which inclines to accept electrons, Nucleophilic addition takes place in this zone when the medical molecules approach their targets
出处
《郑州大学学报（自然科学版）》
CAS
1997年第3期74-79,共6页
Journal of Zhengzhou University (Natural Science)
关键词
红外光谱
哌嗪
环状季铵盐
抗肿瘤药物
rabdoserrin
MNDO
electronic structure
anticancerous activity
