Investigation of the isomerization reaction dynamics of HCP molecule

我们对HCP的异构化进行了光谱研究。在本研究中，我们计划研究渗透效应对HCP CPH异构化反应动力学的影响。然而，脱氢HCP的合成是非常困难的。相反，我们在异构化势垒附近对HCP的激发振动能级进行了观测。最近报道了一项关于HCP异构化的有趣的理论研究。这项理论工作对我们的研究很有帮助。据此，与低能区相比，H原子绕CP核旋转的振动能级应该具有非常大的有效旋转常数。我们可以在异构化势垒以上的能量区观察到几个振动能级。其中一些水平有一个非常大的旋转常数，其值比振动的地面水平大15%。我们的观察与理论预测非常吻合。现在，我们正在准备一个新的实验，它提供了一些关于异构化势垒以上振动能级的振动运动的信息。

We have been studying the isomerization of HCP spectroscopically. In the present study, we planned the investigation of the deutration effect on the reaction dynamics of HCP CPH Isomerization. However, it was very difficult to synthesize the deutrated HCP.In stead, we have carried out the observation of the excited vibrational levels of HCP near the isomerization barrier. Very recently, an interest theoretical study on the Isomerization of HCP was reported. This theoretical work shed a light in our study. According to it, the vibrational level where the H atom rotates around the CP core should have very large effective rotational constants compared with those in the low energy region. We could observe several vibrational levels in the energy region above the Isomerization barrier. Some of these levels have a very large rotational constant, the value of which is 15 % larger than that of the vibrational ground level. Our observation well agrees with the theoretical prediction. Now, we are preparing a new experiment that provides some information about the vibrational motion in the vibrational levels above the isomerization barrier.