【摘要】 利用飞行时间(TOF)质谱装置研究了甲胺分子在355 nm激光作用下的多光子电离情况,实验得到了清晰的质谱图,对其中的母体离子和主要产物离子(m/z=30,28)进行初步分析后,利用ab initio计算方法对各产物离子的产生过程和稳定构型进行了进一步的确认.特别是通过QST3方法找到了m/z=30到m/z=28的离子反应的过渡态构型,通过相应的IRC计算对此反应进行了很好的验证,从而进一步确定了m/z=28的离子就是CHNH+.更多还原

【Abstract】 Multiphoton ionization-dissociation process of methylamine is studied at 355nm laser by Time-Of-Flight mass spectrometer.Using ab initio calculation method,the multiphoton ionization-dissociation(MPID) mechanism of mother ion and fragment ions are described.Moreover,using the QST3 methods,we find the transition state of the reaction CH2NH2+→CHNH++H2,and correlative IRC calculations also indicate that this reaction occurs easily occurred.So we conclude that the ion of m/z=28 is CHNH+.更多还原