Vibrational predissociation of I2Ne. A quasiclassical dynamical study

A quasiclassical trajectory method is applied to study the vibrational predissociation of the I2(B) … Ne van der Waals system. A potential surface for the complex is proposed and used in the calculations which is fitted with a quantum model in order to reproduce the experimental lifetimes available. The classical results are found to overestimate statistical energy redistribution mechanisms which slow down the predissociation process. The classical calculations, however, predict a behavior of the lifetime versus the initial iodine vibrational level in good agreement with the experimental data.