K-scrambling in a near-symmetric top molecule containing an excited noncoaxial internal rotor

Abstract

An asymmetric-top molecule containing a freely rotating internal symmetric top whose symmetry axis is not coincident with a principal axis of the molecule is studied using classical trajectories on rotational energy surfaces and coherent-state quantum projections. An increase in number from two to four to six as J/n increases from zero to infinity was obtained in stationary points on the rotational energy surface. For some J/n values trajectories can arise that sample a large fraction of K values corresponding in quantum wave functions to extensive K mixing in the symmetric-top basis set. This K-scrambled states for various free-rotor manifolds are discussed.