Low-lying electronic states of the diatomic sodium antimonide cation

•High-level computations are employed to study the experimentally unknown system of NaSb+.•The manifold of low-lying Λ-S and Ω electronic states are well determined.•Spectroscopic constants for the electronic states are obtained for the first time.•Transition properties of the species are predicted....

Full description

Saved in:
Bibliographic Details
Published in:Journal of quantitative spectroscopy & radiative transfer 2023-04, Vol.299, p.108508, Article 108508
Main Authors: Wu, Jin-Peng, Hu, Zhuo-Jin, Jiang, Rong-Yao, Chen, Shan-Jun, Zhang, Chuan-Zhao, Jin, Yuan-Yuan, Li, Song
Format: Article
Language:English
Subjects:
Ab initio calculation
Electronic structure
NaSb
Spectroscopic constant
Spin-orbit coupling effect
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:•High-level computations are employed to study the experimentally unknown system of NaSb+.•The manifold of low-lying Λ-S and Ω electronic states are well determined.•Spectroscopic constants for the electronic states are obtained for the first time.•Transition properties of the species are predicted. We investigate structural features, electronic characters and transition properties of NaSb+, a hitherto experimentally unknown system, by using a high-level computation methodology. Information with respect to the manifold of thirteen low-lying Λ-S electronic states, associated with both Na+ + Sb and Na + Sb+ dissociation limits, which split into twenty-four Ω states through the spin-orbit coupling effect, are well determined and analyzed. Detailed analyses of the electronic structures explain the formation of each bound Λ-S states, and the extent of perturbations originated from the spin-orbit coupling effect to the Ω states are characterized through discussions on the spin-orbit matrix elements.
ISSN:0022-4073
1879-1352
DOI:10.1016/j.jqsrt.2023.108508