Abstract:
An energy theory is formulated for the rotational
energy levels in a p-complex Rydberg state of an asymmetric
top molecule of symmetry C2v. The effective Hamiltonian used
consists of the usual rigid rotor Hamiltonian augmented with
terms representing electronic spin and orbital angular
momentum effects. Criteria for assigning symmetry species
to the rotational energy levels, following Houganfs scheme
that uses the full molecular group,are established and given
in the form of a table. This is particularly suitable when
eigenvectors are calculated on a digital computer. Also,
an intensity theory for transitions to the Rydberg p-complex
singlet states is presented and selection rules in terms of
symmetry species of energy states are established. Finally,
applications to HpO and DpO are given.
