胺丙畏同分异构体的红外光谱研究  

Infrared spectra study of the isomeric compoung of the propetamphos

作　　者：侯风超[1] 徐岩[2] 张怀洲[2] 李德华[2] 

机构地区：[1]山东科技大学材料学院,山东青岛266510 [2]山东科技大学理学院,山东青岛266510

出　　处：《分子科学学报》2009年第2期95-98,共4页Journal of Molecular Science

基　　金：国家重点基础研究发展规划项目(2007CB310401);青岛市科技计划项目(07-2-3-3-jch)

摘　　要：采用密度泛函方法研究了胺丙畏两种同分异构体的稳定构型及其红外光谱,找到了根据红外光谱图在924与966 cm-1处吸收峰的相对强度和531 cm-1处有无吸收峰鉴别胺丙畏两种同分异构体的理论依据,得到E体比Z体更稳定的结论,并对E体胺丙畏的振转模式进行了详细分析.In this paper,the stability and infrared spectra of two kinds of the propetamphos isomers are studied with DFT method based on experiment result. Two characters for identifying the isomers are found, one is the relative intensity at 924 cm^- 1 and 966 cm^- 1, the other is the existence of the peak at 531 cm^- 1. Some stronger vibrational modes are assigned and the conclusion of E-propetamphos is more stable than Z-propetamphos is obtained.

关 键 词：胺丙畏 同分异构 红外光谱 密度泛函 

分 类 号：O641[理学—物理化学]