Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

This PECs are calculated for the 9 Λ-S and 28 Ω states of NCl+ cation by the icMRCI + Q approach. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the SOC effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound. The TDMs are computed. The spectroscopic parameters and vibrational levels are evaluated. The FC factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic routines are proposed to observe the 9 electronic states. The SOC effect on the spectroscopic parameters and vibrational properties is evaluated. The TDMs, spectroscopic parameters, vibrational levels, and transition probabilities reported in this paper can be considered very reliable.96