Covalency in ArAu+ and Related Species?

The interaction between a spherical metal ion M+ and a rare gas atom Rg is analyzed in terms of the long-range effects of polarization and dispersion. The inclusion of higher-order linear polarization effects is found to enhance significantly the polarization contribution to binding compared to a si...

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Veröffentlicht in:Journal of the American Chemical Society 1997-09, Vol.119 (38), p.9010-9013
Hauptverfasser: Read, J. P, Buckingham, A. D
Format: Artikel
Sprache:eng
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Zusammenfassung:The interaction between a spherical metal ion M+ and a rare gas atom Rg is analyzed in terms of the long-range effects of polarization and dispersion. The inclusion of higher-order linear polarization effects is found to enhance significantly the polarization contribution to binding compared to a simple charge-induced dipole interaction. The discrepancy between experimental or ab initio binding energies and the long-range energy of polarization and dispersion is found to be much reduced when higher-order effects are included, indicating a negligible role for covalency in these ions.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja970868y