DAVID C. CLARY, Department of Chemistry, University College London, London WC1H OJ, UK.

There has been much recent interest on the spectroscopy and dynamics of weakly-bound clusters formed between radicals and other atoms or molecules. The weakly-bound dimer H2OH is of special interest as H2 and OH have the potential to react to produce H2O+H. This talk will present recent calculations we have performed on the vibrational predissociation (VP) dynamics of H2OH. The VP lifetimes and rotational product distributions for initial excitation of both the OH and H2 vibrations have been calculated. A time-dependent wavepacket method has been used in which all nine coupled degrees of freedom are treated. The potential energy surface is obtained from high-quality ab initio calculations [1]. The results compare quite favourably with time-resolved measurements made recently by M. I. Lester and co-workers. Comparison will also be made with similar calculations on the related weakly-bound molecule H2HF. In addition, the possibility of inducing reaction by vibrationally exciting H2OH to produce H2O+H reactive products will be discussed.

[1] S. M. Miller, D. C. Clary, A. Kliesch and H.-J.Werner, Molec. Phys.,83, 405 (1994).