Abstract
The experimentally determined energies and rotational constants of the vibrational levels v = 0–20 of the Ion-Pair states Ω = 0+, Ω = 1 of the I2, Br2, IBr, and ICl molecules are modeled. The model used includes three diabatic states, which correlate to X+(3P, 1D) + Y∼(1S 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 I2 and Br2, satisfactory results are obtained. The model is less applicable to the gerade states of I2 and Br2, which is possibly results from the retainment of the asymptotic J A J B coupling of the angular momenta at equilibrium internuclear distances.
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