Low-lying electronic states of HBr2+

The present study describes the characterization of energy and structure of HBr(2+) in its low-lying electronic states, achieved through an extension of a new empirical method [Chem. Phys. Lett. 379, 139 (2003)] recently introduced to evaluate the interatomic interaction in the HX(2+) (X=F,Cl,Br,I) molecular dications. The method is based on identification of the main components of the interaction and their evaluation through some simple correlation formulas. Potential energy curves, given in a simple, natural, and analytical form, made possible the calculations of some important properties, such as double-photoionization energy thresholds, vibrational spacing, average lifetime, and Franck-Condon factors. The predictions, compared with data available in the literature, are of great interest for the analysis and interpretation of some new experimental results.