酮羰基紫外吸收能量与分子拓扑指数关系研究  

Study on the Relation between the UV Absorbing Energy and Molecular Topological Index for the C=O Group of Ketone

作　　者：寇建仁[1] 乔华[1] 张生万[1] 

机构地区：[1]山西大学化学化工学院,山西太原030006

出　　处：《山西大学学报（自然科学版）》2005年第3期299-300,共2页Journal of Shanxi University(Natural Science Edition)

基　　金：山西省自然科学基金(No.20041013);山西省科技攻关课题(No.021171)

摘　　要：研究了14种酮CO的C=O紫外吸收能量ΔE与分子拓扑指数0T、1T的关系.发现0T、1T与这些化合物的紫外吸收能量ΔE有良好的相关性,线性回归方程为:ΔE=7.47+0.08470T-0.07871T,相关系数R=0.9823.The relation between the UV absorbing energy and molecular topological index for the C = O group of ketone were studied. The results showed that there was a good linear relationship between ^0T, ^1T and the UV absorbing energy. The relation was expressed as follows：AE=7.47＋0. 0847 ^0T-0. 0787 1T,R=0. 9823.

关 键 词：酮 紫外吸收能量 拓扑指数 

分 类 号：O644[理学—物理化学]