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 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 0002-7863 1520-5126 |
DOI: | 10.1021/ja970868y |