355 nm激光作用下苯甲醚的多光子电离质谱研究

在355 nm激光作用下，利用多光子电离技术结合飞行时间质谱(TOF-MS)对苯甲醚分子进行了研究。实验结果表明苯甲醚分子的多光子电离机制属于母体分子电离-解离模型。通过对主要碎片离子的可能形成过程的讨论，得出该波长下母体分子离子解离的主要有两种通道，但是随激光能量的增强，甲基移除通道逐步占据优势成为主要通道。应用高斯软件采用HF/6-31G(d) 方法对苯甲醚分子和苯甲醚阳离子基态的几何构型进行优化得到其稳定构型，并计算了苯甲醚分子离子及其初级解离产物的能量。比较两条通道的碎片离子能量的变化，理论验证了实验中苯甲醚分子主要解离通道的合理性。

Study on multiphoton ionization mass spectrum of anisole at 355 nm

The anisole is studied by using multiphoton ionization technique and time-of-flight mass spectrum (TOF-MS) under the radiation of the 355 nm laser. The experiment shows that the multiphoton ionization mechanism of anisole is parent molecule ionization-dissociation model. At the same time, the two possible channels of parent ion are analyzed, but the channel of methyl removed is the major channel with the increase of laser power. The geometric structures of the ground states of anisole and anisole cation also are optimized at HF/6-31G(d) level, furthermore, the stable structure is acquired. In addition, we also calculate the energy of anisole and its main fragment ions. At last, by comparing difference of the dissociation energy of anisole and its main fragment ions of the two channels, the theoretical results further demonstrate, in the experiment, that the main dissociation channel of anisole molecular will be formed.