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首页> 外文期刊>The Journal of Chemical Physics >Dynamics of photoexcited Ba+ cations in He-4 nanodroplets
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Dynamics of photoexcited Ba+ cations in He-4 nanodroplets

机译：He-4纳米液滴中光激发的Ba +阳离子的动力学

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摘要

We present a joint experimental and theoretical study on the desolvation of Ba+ cations in He-4 nanodroplets excited via the 6p <- 6s transition. The experiments reveal an efficient desolvation process yielding mainly bare Ba+ cations and Ba+Hen exciplexes with n = 1 and 2. The speed distributions of the ions are well described by Maxwell-Boltzmann distributions with temperatures ranging from 60 to 178 K depending on the excitation frequency and Ba+ He-n exciplex size. These results have been analyzed by calculations based on a time-dependent density functional description for the helium droplet combined with classical dynamics for the Ba+. In agreement with experiment, the calculations reveal the dynamical formation of exciplexes following excitation of the Ba+ cation. In contrast to experimental observation, the calculations do not reveal desolvation of excited Ba+ cations or exciplexes, even when relaxation pathways to lower lying states are included. (C) 2016 AIP Publishing LLC.
机译：我们提出了通过6p <-6s跃迁激发的He-4纳米液滴中Ba +阳离子去溶剂化的联合实验和理论研究。实验表明，有效的去溶剂化过程主要产生裸露的Ba +阳离子和n = 1和2的Ba + Hen激基复合物。离子的速度分布可以通过Maxwell-Boltzmann分布很好地描述，温度范围为60-178 K，具体取决于激发频率和Ba + He-n激基复合物的大小。这些结果已通过基于时间依赖性的氦气滴密度函数描述以及经典的Ba +动力学计算进行了分析。与实验一致，该计算揭示了激发Ba +阳离子后激基复合物的动态形成。与实验观察相反，即使包括到较低躺卧状态的松弛途径，该计算也没有揭示激发的Ba +阳离子或激基复合物的去溶剂化。 （C）2016 AIP出版有限责任公司。

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