Theoretical simulations of the He79Br2 B, v=8←X, v″=0 excitation spectrum: Spectroscopic manifestation of a linear isomer? (original) (raw)

This study investigates the excitation spectrum of the HeBr2 van der Waals complex to explore the possibility of detecting a linear isomer through conventional excitation spectroscopy. By modeling a family of potential energy surfaces (PESs) that depict both T-shaped and linear configurations, the spectral characteristics are analyzed. The findings suggest that the unassigned bands within the experimental spectrum may correspond to transitions involving the linear isomer, which indicates the potential for identification of such structures in rare gas-halogen complexes.