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

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1966

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Ohio State University

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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 XeF4 than previously forwarded.4,5,6

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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). 5J. 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).

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