论文部分内容阅读
在800nm飞秒激光作用下对碘乙烷多光子电离解离过程进行了研究,获得了碘乙烷分子的多光子电离飞行时间(MPI-TOF)质谱.光强指数分析表明母体离子主要发生3+3共振增强多光子电离(REMPI)过程.根据部分碎片离子占总离子信号的百分比对激光强度的依赖关系,讨论了碘乙烷的多光子电离解离机制,得出了C_2H_5I分子的多光子电离(MPI)属于母体离子离解阶梯模式.文中分析了母体离子在该波长下主要两条解离通道,其中C-I键的断裂为主要通道.应用高斯03在B3LYP/3-21G基组上计算了两条通道能量的变化,理论进一步验证了实验结果的合理性.
The multi-photon ionization time-of-flight (MPI-TOF) mass spectrometry of iodine ethane was obtained under the action of 800 nm femtosecond laser and the photon intensity index analysis showed that the precursor ion mainly occurred 3 +3 resonance enhanced multiphoton ionization (REMPI) process.According to the dependence of partial fragment ion on the laser intensity as a percentage of the total ion signal, the multi-photon ionization mechanism of ethyliodide was discussed and the multiphoton of C_2H_5I molecule Ionization (MPI) belongs to the parent ion dissociation ladder mode.In this paper, the main two dissociation channels of parent ions at this wavelength are analyzed, of which the CI bond is the main channel.The calculations using Gaussian 03 on the B3LYP / 3-21G basis set The energy of two channels changes, the theory further verifies the rationality of the experimental results.