光离子化
电离能
电离
光谱学
原子物理学
X射线光电子能谱
基态
光电发射光谱学
电子结构
工作(物理)
化学
材料科学
物理
计算化学
离子
核磁共振
量子力学
热力学
有机化学
作者
Thomas D. Persinger,Jiande Han,Michael C. Heaven
标识
DOI:10.1021/acs.jpca.1c07014
摘要
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+.
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