摘要
本文首先介绍了环己酮离子在飞秒激光作用下,在激发态解离的主要碎片为:C4H5O+、C3H3O+、C3H6+、C3H3+和C2H2O+.而后基于物质不灭定律和电荷守恒定律,给出在前面每一碎片的形成过程中,也应形成另外一些碎片产物,利用基于密度泛函理论的B3LYP方法,求出了这些碎片产物的结构.最后给出了环己酮离子的解离通道.
In this paper, the cyclohexanone ions in the role of femtosecond laser, excited state dissociation in the main debris： C4H5O^ ＋ , C3H3O^ ＋ , C3H6^ ＋ , C3H3 ^＋ and C2H2O^ ＋ . Based on the material before imperishability and charge conservation law, other debris were obtained in the course of forming debris. Using the B3LYP density functional theory methods, we obtained the product of these debris structures. Finally, cyclohexanone dissociation ion channel were given.
出处
《吉林师范大学学报（自然科学版）》
2009年第2期9-11,共3页
Journal of Jilin Normal University:Natural Science Edition
基金
国家自然科学基金项目(10534010)
关键词
环己酮
密度泛函理论
飞秒激光
激发态
解离
cyclohexanone
density functional theory
femtosecond laser
excited state
dissociation
