Calculation for Stretching Energy Levels of UF6 Molecule

A four-parameter nonlinear model is applied to describe the X-Y stretching modes of XY6octahedral molecules in the electronic ground state and used in the calculation of U-F stretches of UF6molecule. In this model, the Hamiltonian operator includes not only the anharmonic parameter, but also the dispersive parameters describing dipole-dipole interactions, reflecting the character of molecular stretching vibrations. The results obtained show that the model calculation describes the observed data well (with the accuracy within 1.0 cm-1) and reasonably predicts some new vibrational bands at accurate energies not yet observed.