Coriolis coupling as a source of non-RRKM effects in triatomic near-symmetric top molecules: Diffusive intramolecular energy exchange between rotational and vibrational degrees of freedom

摘要

A classical theory is proposed to describe the non-RRKM effects in activated asymmetric topudtriatomic molecules observed numerically in classical molecular dynamics simulations of ozone.udThe Coriolis coupling is shown to result in an effective diffusive energy exchange between theudrotational and vibrational degrees of freedom. A stochastic differential equation is obtained for theudK-component of the rotational angular momentum that governs the diffusion.