NaSr分子的基态和第一激发态：实验与理论研究。

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

作者信息

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

机构信息

Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland.

Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, ul. Pasteura 5, 02-093 Warszawa, Poland.

出版信息

J Phys Chem A. 2025 May 22;129(20):4496-4504. doi: 10.1021/acs.jpca.5c01878. Epub 2025 May 8.

DOI:10.1021/acs.jpca.5c01878

PMID:40339165

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12105035/

Abstract

We report the first spectroscopic investigation of the NaSr molecule. Spectra related to the B(2)Σ → X(1)Σ 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)Σ and B(2)Σ states. Reliability of the employed theoretical methods was tested.

摘要

我们报道了对NaSr分子的首次光谱研究。通过热发光和激光诱导荧光技术，以部分转动分辨率观测到了与B(2)Σ → X(1)Σ跃迁相关的光谱。同时，使用两种不同的理论方法计算了NaSr最低电子态的势能曲线和跃迁偶极矩。与理论结果的比较有助于解释实验光谱，并推导出X(1)Σ和B(2)Σ态的主要分子常数。检验了所采用理论方法的可靠性。