Electronic Spectroscopy and Photoionization of LiBe,The Journal of Physical Chemistry A

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Electronic Spectroscopy and Photoionization of LiBe
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2021-09-14 , DOI: 10.1021/acs.jpca.1c07014
Thomas D Persinger ₁ , Jiande Han ₁ , Michael C Heaven ₁

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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⁺.

中文翻译：

LiBe 的电子光谱和光电离

LiBe 已成为多项理论研究和一项光谱研究的主题。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 ⁺的潜力。在本研究中，我们推进了 LiBe 的几种电子态和 LiBe ⁺的基态的光谱表征。对于中性分子，首次观察到1 ² Π、2 ² Σ ⁺、3 ² Σ ⁺和4 ² Π(3d) 态。2 ² Σ ⁺ –X ² Σ ^{+ 的数据}过渡支持理论预测，即该波段系统适用于直接激光冷却。光电子能谱已被用于确定 LiBe 的电离能并绘制 LiBe ⁺ X ¹ Σ ⁺的低能振动能级。总体而言，结果验证了对 LiBe 和 LiBe ⁺的高级量子化学计算的预测。

更新日期：2021-09-23

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