利用355 nm激光作为光源对间甲苯酚分子进行了多光子电离解离研究,得到了间甲苯酚分子的多光子电离飞行时间质谱图,实验中没有观测到母体离子信号.对其中的部分产物离子进行分析,得出了该波长下主要的解离电离通道.应用从头计算理论,在B3LYP/6-311++G(d,P)基组水平上对质荷比为109(C7H8OH+)离子及C7TH8O的可能构型进行优化,得到了其稳定构型.对C7TH8OH+离子势能面的研究得到,C7TH8OH+离子的形成是一个无势垒的反应过程.
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