NaSr分子的基态和第一激发态：实验和理论研究。

IF 2.7 2区化学 Q3 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry A Pub Date : 2025-05-22 Epub Date: 2025-05-08 DOI:10.1021/acs.jpca.5c01878

Jacek Szczepkowski, Marcin Gronowski, Matylda Olko, Romain Vexiau, Michał Tomza, Olivier Dulieu, Paweł Kowalczyk, Włodzimierz Jastrzebski

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引用次数: 0

摘要

我们报道了NaSr分子的第一个光谱研究。通过热释光和激光诱导荧光技术，以部分旋转分辨率观察了B(2)2Σ+→X(1)2Σ+跃迁的相关光谱。同时，用两种不同的理论方法计算了NaSr的最低电子态和跃迁偶极矩的势能曲线。通过与理论结果的比较，可以解释实验光谱并推导出X(1)2Σ+和B(2)2Σ+态的显著分子常数。对所采用的理论方法进行了可靠性检验。

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Ground and First Excited States of the NaSr Molecule: Experimental and Theoretical Study.

We report the first spectroscopic investigation of the NaSr molecule. Spectra related to the B(2)²Σ⁺ → X(1)²Σ⁺ transition were observed with partial rotational resolution by thermoluminescence and laser-induced fluorescence techniques. Simultaneously, potential energy curves of the lowest electronic states of NaSr and transition dipole moments were calculated by using two different theoretical approaches. Comparison with theoretical results allowed to interpret the experimental spectra and deduce the salient molecular constants of the X(1)²Σ⁺ and B(2)²Σ⁺ states. Reliability of the employed theoretical methods was tested.

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来源期刊

The Journal of Physical Chemistry A 化学-物理：原子、分子和化学物理

CiteScore

5.20

自引率

10.30%

发文量

922

审稿时长

1.3 months

期刊介绍： The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.