Relativistic calculations on the transition electric dipole moments and radiative lifetimes of the spin-forbidden transitions in the antimony hydride molecule

Abstract

Calculations on the spectroscopic constants and transition properties of the first three states (a1Δ, b1Σ+, and X3Σ−) of the SbH molecule were performed under the relativistic framework using the exact two-component Hamiltonian (X2C). The potential energy curves in the Franck–Condon region were computed and compared with the previous values. Furthermore, the transition dipole moments for the weak spin-forbidden transitions (b0+–X10+, b0+–X21, X10+–X21, and X21–a2) were reported. The spontaneous radiative lifetime of the b1Σ+ (υ′ = 0) state was calculated as 163.5±7.5 μ s, which is in reasonable agreement with the latest experimental value of 173±3 μ s. The spontaneous radiative lifetimes of the X21 (υ′ = 0) state and the a2 (υ′ = 0) state were calculated to be 48.6 s and ∼ 8 ms, respectively. Our study is expected to be a benchmark transition property computation for comparison with other theoretical and experimental results. The datasets presented in this paper, including the transition dipole moments, are openly available at https://dx.doi.org/10.11922/sciencedb.j00113.00018.