Electronic Structure of Xenon Difluoride

THIS communication describes the results of some very approximate calculations relating to the electronic structure of XeF 2 . The treatment is of the four electrons associated with a framework: F + Xe ++ F + . The various wave functions of the molecule which were tested were constructed from the 2...

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Bibliographic Details
Published in:Nature (London) 1964-03, Vol.201 (4926), p.1323-1323
Main Authors: BILHAM, J, LINNETT, J. W
Format: Article
Language:English
Subjects:
Humanities and Social Sciences
letter
multidisciplinary
Science
Science (multidisciplinary)
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Summary:THIS communication describes the results of some very approximate calculations relating to the electronic structure of XeF 2 . The treatment is of the four electrons associated with a framework: F + Xe ++ F + . The various wave functions of the molecule which were tested were constructed from the 2 p z orbitals of the two fluorine atoms and the 5 p z orbital on the xenon atom, the three atoms being in a straight line along the z -axis. It has been assumed that, for this approximate treatment, other atomic orbitals can be neglected. The excitation of an electron from a 5 p to a 6 s orbital in a xenon atom requires about 8.25 eV and to a 5 d orbital about 10 eV, and from a 2 p to a 3 s orbital in a fluorine atom about 12 eV 1 . These are such large energies that the restriction to the p -orbitals seems to be reasonable.
ISSN:0028-0836
1476-4687
DOI:10.1038/2011323a0