基于离子/中性复合物中间体介导的气相离子反应研究

离子/中性复合物（Ion-neutral complex，INC）是单分子气相反应的重要中间体。近20年来，各国科学家已经相继报道了多类离子/中性复合物参与的质谱裂解反应，包括质子转移反应、阳离子转移反应以及多种重排反应等^[1-4]。 在质子化芳基醚、苯磺酰胺等几类化合物的多级质谱中，观察到一系列以离子/中性复合物为中间体的气相离子裂解反应，包括一类新的电子转移反应^[5]，这些裂解反应形成产物离子的途径、以及产物离子的丰度均与取代基效应有关。我们通过理论计算和氘代实验系统研究了这些反应。

Research on the INC-Mediated Gas Phase Ionic Reactions

Ion-neutral complexes(INCs) are the important intermediates in the gas phase unimolecular reactions. In recent twenty years, scientists from many countries have reported on a variety of INC-mediated fragmentation reactions in mass spectrometry including proton transfer reactions, cation transfer reactions and many kinds of isomerization reactions^[1-4]. In the multi-stage mass spectra of the protonated aromaticmethyl benzyl ethers and protonated sulfonamides, we observed a series of gas phase fragmentation reactions mediated by INC intermediates, including a new kind of charge-transfer reaction^[5]. The fragmentation pathways and the abundances of the product ions are both correlated with the substituent effect. These reactions are further systematically investigated by theoretical calculations and deuterium labeling experiments.