Ion-Pair States of I_(2), Br_(2), IBr, and ICl

摘要

The experimentally determined energies and rotational constants of the vibrational levels v velence 0-20 of the Ion-Pair states OMEGA velence 0~(+), OMEGA velence 1 of the I_(2), Br_(2), IBr, and ICl molecules are modeled. The model used includes three diabatic states, which correlate to X~(+)(~(3)P, ~(1)D) + Y~(-)(~(1)S_(0)). These states are coupled by the spin-orbit interaction, which is assumed to be independent of the internuclear distance. For IBr and ICl, as well as for the ungerade states of I_(2) and Br_(2), satisfactory results are obtained. The model is less applicable to the gerade states of I_(2) and Br_(2), which is possibly results from the retainment of the asymptotic J_(A)J_(B) coupling of the angular momenta at equilibrium internuclear distances.