Electronic Spectroscopy and Photoionization of LiBe
Electronic Spectroscopy and Photoionization of LiBe
复制标题
LiBe 的电子能谱和光电离
DOI：
10.1021/acs.jpca.1c07014
复制
发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Heaven, Michael C.
中科院分区：
文献类型：
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作者：
Persinger, Thomas D.;Han, Jiande;Heaven, Michael C.
LIBE一直是几个理论研究和一个光谱研究的主题。最初，这些努力的动机是对金属间键的兴趣。最近的工作探索了在超低温下生产LIBE和LIBE+的可能性。在本研究中，我们对LIBE的几个电子态和LIBE+的基态进行了光谱表征。对于中性分子，首次观察到12个Π、22个Σ+、32个Σ+和42个Π(3D)态。22Σ+-X2Σ+跃迁的数据支持一个理论预测，即该能带系统适合于直接激光冷却。用光电子能谱测定了LiBe的电离能，并绘制了LiBe+X1Σ+的低能振动能级图。总体而言，结果验证了LIBE和LIBE+的高水平量子化学计算的预测。
LiBe has been the subject of several theoretical investigations and one spectroscopic study. Initially, these efforts were motivated by interest in the intermetallic bond. More recent work has explored the potential for producing LiBe and LiBe+at ultracold temperatures. In the present study, we have advanced the spectroscopic characterization of several electronic states of LiBe and the ground state of LiBe+. For the neutral molecule, the 12Π, 22Σ+, 32Σ+, and 42Π(3d) states were observed for the first time. Data for the 22Σ+–X2Σ+transition support a theoretical prediction that this band system is suitable for direct laser cooling. Photoelectron spectroscopy has been used to determine the ionization energy of LiBe and map the low-energy vibrational levels of LiBe+X1Σ+. Overall, the results validate the predictions of high-level quantum chemistry calculations for both LiBe and LiBe+.