SEMIEMPIRICAL MOLECULAR ORBITAL ENERGY LEVELS OF $XeF_{4}$.

Author Institution: Department of Chemistry Northern Illinois University, Dekalb, Illinois, 60115$^{1}$ N. Synek and G. E. Sturgis, J. Chem. Phys. 42, 3068 (1965). $^{2}$ M. Wolfsberg and L. Helmholz, J. Chem. Phys. 23, 1841 (1955). $^{3}$ W. A. Yeranos, J. Chem. Phys. 44, 2007 (1966). $^{4}$ L. L. Lohr, Jr. and W. N. Lipscomb, J. Am. Chem. Soc. 85, 240 (1963). $^{5}$J. Jortner, E. G. Wilson and S. A. Rice, J. Am. Chem. Soc 85, 814 (1963). $^{6}$ E. A. Boudreaux, J. Chem. Phys, 40, 246 (1964).Using recently published analytical SCF wave functions from $Xenon,^{1}$ the one-electron molecular energies of Xenon Tetrafluoride have been redetermined in the Wolfsberg-Helmholz semiempirical $approximations.^{2}$ Unlike similar previous investigations, the present study takes into consideration ligand-ligand overlap, and uses the recent proposed reciprocal mean for the semiempirical evaluation of the resonance $integrals.^{2}$ The outcome of study suggests an alternate description of the bonding in $XeF_{4}$ than previously $forwarded.^{4, 5, 6}