【摘要】 本文首先使用基于密度泛函理论的B3LYP方法,在6-31+G(d,p)水平上,对1,2-二溴-1,1-二氯乙烷离子化分子C2H2Br2Cl2+1和C2H2Br2Cl2+2在激发态解离的碎片CBrCl2+1、CH2Br+1、C2H2BrCl2+1和Br+1的结构特性进行了研究.而后依据物质不灭定律和电荷守恒定律,给出1,2-二溴-1,1-二氯乙烷分子在飞秒激光场中的解离电离和解离双电离通道.更多还原

【Abstract】 This paper is first to use B3LYP method based on the density functional theory,in the 6-31+G( d,p) level,and study the 1,2-dibromo-1,1-dichloroethane ionized molecules C2H2Br2Cl2+1and C2H2Br2Cl2+2structure in the excited state dissociation fragments CBrCl2+ 1,CH2Br+ 1,C2H2BrCl2+ 1Br+1characteristics.Then according to the law of conservation and charge conservation law,it gives 1,2-dibromo-1,1-dichloroethane molecule dissociation femtosecond laser field ionization and dissociation of double ionization channel.更多还原