SPIN ORBIT EFFECTS ON RUO4 AND OSO4

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dc.contributor.authorARRATIA-PEREZ, R
dc.date.accessioned2025-01-23T19:21:52Z
dc.date.available2025-01-23T19:21:52Z
dc.date.issued1993
dc.description.abstractDirac molecular orbital calculations on both molecules indicate that spin-orbit coupling splits the 2t2 and 3t2 MOs into the 2e'' + 2u' (2e'' > 2u') and 4u'+3e'' (4u'> 3e'') relativistic counterparts, due to the small metal contents of the nd3/2 and nd5/2 spinors, and of the (n + 1)p3/2 and (n + 1)p1/2 spinors, respectively. The unusual broad band E could be assigned to ionizations arising from a group of relativistic orbitals (3q, 2e3 and 2q) with significant nd5/2 and nd3/2 Metal contents. The calculated spin-orbit and valence bandwidth values are in good agreement with resolved PES data.
dc.fuente.origenWOS
dc.identifier.issn0009-2614
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/98892
dc.identifier.wosidWOS:A1993KN04700016
dc.issue.numero4
dc.language.isoen
dc.pagina.final414
dc.pagina.inicio409
dc.revistaChemical physics letters
dc.rightsacceso restringido
dc.titleSPIN ORBIT EFFECTS ON RUO4 AND OSO4
dc.typeartículo
dc.volumen203
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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