Abstract
The tunneling-rotational problem in A- BX 4 van der Waals molecules has been treated using a modified internal axis method developed previously, which requires a knowledge of the number of equivalent equilibrium frameworks (i.e., a knowledge of the point-group to which the equilibrium configuration belongs and the total number of feasible permutation-inversion symmetry operations), as well as some information concerning the number and symmetry properties of tunneling paths between the various equilibrium frameworks. We consider in detail A- BX 4 complexes with four C 3 v equilibrium structures and only one tunneling path between any pair of frameworks. Basis set functions are defined, and explicit expressions for tunneling-rotational Hamiltonian matrix elements are derived in a form suitable for a global fit of spectral data. The J and K dependence of typical tunneling splitting patterns, calculated using the present formalism, are discussed.
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