V. Boujut et al., SYMMETRIZED ROVIBRATIONAL LOCAL STATES FOR TRIPLY DEGENERATE MODES OFSPHERICAL MOLECULES - APPLICATION TO INTENSITY CALCULATIONS IN THE NU(3) LADDER, Molecular physics, 93(6), 1998, pp. 887-900
XY6 octahedral molecules, like SF6, WF6 and UF6, reveal a localized be
haviour in the excited states of their stretching mode nu(3). This cha
racter may be described through the G superset of U(3) superset of K-3
superset of O-h group chain (Boujut, V., Michelot, F., and Leroy, C.,
1998, Molec. Phys., 93, 879). In this paper, we extend our previous t
heoretical developments by: the construction of a symmetrized local ro
vibrational basis, denoted in; \n; J(eta) \K\Gamma mu], well adapted t
o the study of the (n00) states of the nu(3) ladder-the introduction o
f an approximate infrared intensity model for the transitions (000) --
> (n00) with n odd. We believe that the simplicity of the analytic exp
ressions obtained in each case should facilitate future rovibrational
analyses of molecules exhibiting such a localized behaviour, especiall
y when the density of states becomes important thigh n and J values).
As an illustration, results of simulations, made on the (UF6)-U-238 mo
lecule, are presented and discussed.