| DOI | Trouver le DOI : https://doi.org/10.1006/jssc.2000.9079 |
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| Auteur | Rechercher : Dybowski, C.; Rechercher : Gabuda, S.; Rechercher : Kozlova, S.; Rechercher : Neue, G.; Rechercher : Perry, D.; Rechercher : Terskikh, Victor1 |
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| Affiliation | - Conseil national de recherches Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | lead oxides; solid-state NMR; quantum ab initio calculations; relativistic effects. |
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| Résumé | We examine correlation and relativistic effects on Pb–Pb and Pb–O interactions in β-PbO with ab initio quantum calculations and 207Pb NMR chemical-shift-tensor analysis. We find a covalent-like Pb2+–Pb2+ interaction accounts for many facets of the NMR spectroscopy and the X-ray absorption near-edge structure, as well as other spectroscopic properties. This covalent effect arises from the relativistic properties of the 6p3/2(m=±1/2) and 6p3/2(m=±1/2) orbitals. The existence of such interactions in lead (II) oxides other than β-PbO may explain NMR and optical spectra of these materials as well. |
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| Date de publication | 2001-02-15 |
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| Dans | |
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| Numéro NPARC | 12328979 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 77ade686-f3fe-451b-9df3-9b6c316e7ea4 |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2020-03-27 |
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