Study on the spectroscopy and transition properties of TeCl

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2022-10, Vol.279, p.121439, Article 121439
• Main Authors: Wang, Guo-Sen, Zhang, Chuan-Yu, Wan, Ming-Jie, Gong, Jia-Yi
• Format: Article
• Language: English
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2022.121439

[Display omitted] •The potential energy curves and spectroscopy constants of ground state and low excited state of TeCl+ are calculated.•The phenomenon of crossing or avoided crossing in Ω states.•Direct laser cooling of TeCl+ is considered not feasible. For the first time, the spectroscopy data of TeCl+ ion and the transition data between low excited states are systematically calculated. The potential energy curves of 22 Λ-S states and 51 Ω states are calculated by the internally contracted multiconfiguration interaction and Davidson correction method. By solving the one-dimensional radial Schrödinger equation, the spectroscopy data of Λ-S states and Ω states are obtained. The phenomenon of avoided crossing in Ω state is analyzed in detail, which is mainly concentrated in the region of 20000 cm−1 to 35000 cm−1. The Franck-Condon factors, Einstein coefficients and spontaneous radiative lifetimes of X3Σ0+-↔21Σ0++ transitions are calculated. According to the calculation results, it is preliminarily judged that the direct laser cooling of TeCl+ ion is not feasible.