分子的同谱与致癌活性  

Molecular Isospectral Spectra with the Carcinogenic Activity

作　　者：李云[1] 尚世智[1] 张文晔[1] 

机构地区：[1]沈阳化工学院

出　　处：《辽宁化工》1999年第1期16-20,共5页Liaoning Chemical Industry

摘　　要：将同谱性与物质的化学性质和反应活性相关联。应用ＨＭＯ理论，研究了乙烯与苯、苯与蒽以及苯与三乙烯甲基的同谱性，并与它们的化学性质相比较，得出同谱性与电子结构和反应活性中心相关。同时利用同谱性和量子化学计算，由１－甲菲的致癌活性判断１－乙烯基菲的致癌活性，其结果与计算值相一致。从而证明同谱问题的研究可以应用于实际的化学研究领域，使同谱问题的研究更加广泛。In this paper,the properties of isospectral spectra are connected with some chemical properties and reactive activity of substances. With the theory of HMO we have studied the isospectral spectra of ethylene with benezene, benezene with anthracene, as well as benezene with triethylenemethyl. When their isospectral spectra with chemical properties are compared, we obtained that the isospectral spectra related to electronic structure and reactive activity. The carcinogenic activity of 1-vinyl phenanthrene is judged by that of 1-methyl phenanthrene. It is identical to judicial result with the calculating value. The research of isospectral spectra may apply in the field of actual chemical research, So that research of isospectral spectra is more wider.

关 键 词：致癌活性 同谱 HMO 分子 芳香烃 

分 类 号：R730.231[医药卫生—肿瘤] O621.1[医药卫生—临床医学]