Quantum Calculations On The Vibrational Predissociation Of NeBr2: Evidence For Continuum Resonances

Quantum mechanical calculations on the vibrational predissociation dynamics of NeBr 2 in the B electronic state have been performed and the results compared with both experimental data and other computational studies. For vibrational levels with vр20 we find that the vibrational state dependence of the predissociation lifetimes is in qualitative agreement with experimental measurements, as are the calculated Br 2 fragment rotational distributions. For higher vibrational levels, the B←X excitation profiles are well represented by a sum of two Lorentzian line shapes. We attribute this result to the presence of long-lived resonances in the dissociative continuum that are reminiscent of long-lived dissociative trajectories in previous classical studies of NeBr 2 .