VIBRATION-ROTATIONAL SPECTROSCOPY OF XH(2) AND XH(3) TYPE MOLECULES NEAR THE LOCAL MODE LIMIT

Present work studies the effective rotational Hamiltonians and their v ibration-rotational parameters for XH(2) and XH(3) type molecules near the local mode limit by including the diagonal matrix elements of coo rdinate operators when the bond anharmonicity is significant. An impro ved ''alpha relation'' is given for the local mode limit by taking the anharmonic bond oscillator wave function as the basis function. Then the rotational tunneling approach is extended to model the effect of n onzero interbond coupling for XH(2) and XH(3) type molecules, which pr ovides a dynamical view of the rovibrational structure of the local mo de states. (C) 1996 American Institute of Physics.