Study on the A²Π_3/2u, B²Δ_3/2u, and X²Π_3/2g states of Cl₂⁺ including its isotopologues

Adopting the experimentally available vibrational constants in a recent analysis of the strong perturbation between the A²Π_3/2u and B²Δ_3/2u states of Cl₂⁺ in the A–X band system Gharaibeh et al. 2012 J. Chem. Phys. 137 194317, an unambiguous vibrational assignment of the bands reported previously is carried out. The equilibrium rotational constants B_e and α_e of the X²Π_3/2g and A²Π_3/2u states for ³⁵Cl₂⁺ and ³⁵Cl³⁷Cl⁺ and those of the B²Δ_3/2u state for ³⁵Cl₂⁺ are obtained by fitting the experimental values of B_v. In addition, the values of B_e and α_e of these three states for the minor isotopologues ³⁵Cl³⁷Cl⁺ and ³⁷Cl₂⁺ are predicted by employing the isotopic effect. The values of equilibrium internuclear distance R_e of the three states for the three isotopologues are calculated as well.