Persinger Thomas D, Han Jiande, Heaven Michael C
Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States.
J Phys Chem A. 2021 Sep 23;125(37):8274-8281. doi: 10.1021/acs.jpca.1c07014. Epub 2021 Sep 14.
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 1Π, 2Σ, 3Σ, and 4Π(3d) states were observed for the first time. Data for the 2Σ-XΣ 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 XΣ. Overall, the results validate the predictions of high-level quantum chemistry calculations for both LiBe and LiBe.
锂铍(LiBe)一直是多项理论研究和一项光谱研究的主题。最初,这些研究工作是受对金属间键的兴趣所驱动。最近的研究探索了在超低温下制备锂铍(LiBe)和锂铍(LiBe)的可能性。在本研究中,我们推进了对锂铍(LiBe)的几个电子态和锂铍(LiBe)基态的光谱表征。对于中性分子,首次观测到了(1Π)、(2Σ)、(3Σ)和(4Π(3d))态。(2Σ - XΣ)跃迁的数据支持了一个理论预测,即该能带系统适用于直接激光冷却。光电子能谱已被用于确定锂铍(LiBe)的电离能并绘制锂铍(LiBe)(XΣ)的低能振动能级。总体而言,这些结果验证了对锂铍(LiBe)和锂铍(LiBe)的高水平量子化学计算的预测。