Abstract
A weakly bound Ω = 1 state of ICl, [Formula: see text], which converges to the ground state 1(2P3/2) + Cl(2P3/2) of the separated atoms, has been identified and characterized. Spectroscopic constants of this state are Te = 17 338.0(13), ωe = 32.85(48), ωexe = 1.272(40), 103Be = 38.2(13), 104αe = 8.89(34), 105γe = −8.1(20) cm−1, and re = 4.01(6) Å. The dissociation energy De = 219.6 cm−1 is consistent with the value predicted for a Morse function, [Formula: see text]. Transitions [Formula: see text] are allowed owing to homogeneous coupling between ã and the well-defined A(3π1) state; in fact, at medium-long range (r = 6–6.5 Å, D–Gν = 20–30 cm−1), the diabatic ã and A curves cross at a small angle. Principal features of the crossing are explained if the electronic interaction matrix element is ca. 4 cm−1, corresponding to weak coupling. Heterogeneous perturbations of the A and ã states in the range D–Gν < 200 cm−1 are attributed to coupling with high vibrational levels of the ground state X(1Σ+).
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