Show simple item record

hal.structure.identifierMax-Planck-Institut für Festkörperforschung
dc.contributor.authorKÖHLER, Jürgen
hal.structure.identifierMax-Planck-Institut für Festkörperforschung
dc.contributor.authorFRIEDRICH, Holger
hal.structure.identifierDepartment of Chemistry, North Carolina Raleigh
dc.contributor.authorWHANGBO, Myung-Hwan
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorVILLESUZANNE, Antoine
dc.date.issued2005
dc.identifier.issn0002-7863
dc.description.abstractEnA new phase [PtIn6](GeO4)2O, a filled variant of [PtIn6](GaO4)2, and the solid solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 < x < 2) were prepared and characterized. Single-crystal structure refinements show that [PtIn6](GeO4)2O is isotypic with the mineral, sulfohalite Na6FCl(SO4)2, and crystallizes in the space group Fmm (Z = 4) with a = 1006.0(1) pm. The building units of [PtIn6](GeO4)2O are isolated [PtIn6]10+ octahedra and (GeO4)4- tetrahedra, and the isolated O2- ions occupy the centers of the In6 octahedra made up of six adjacent PtIn6 octahedra. The lattice parameter of the solid solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 < x < 2) varies gradually from a = 1001.3(1) pm at x = 0 to a = 1006.0(1) pm at x = 2, and the color of the solid solution changes gradually from black (x = 0) to red (x = 1) to yellow (x = 2). The cause for the gradual color change was examined by performing density functional theory electronic structure calculations for the end members [PtIn6](GaO4)2 and [PtIn6](GeO4)2O. Our analysis indicates that an oxygen atom at the center of a In6 octahedron cuts the In 5p/In 5p bonding interactions between adjacent [PtIn6]10+ octahedra thereby raising the bottom of the conduction bands, and the resulting quantum dot effect is responsible for the color change.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enSolid solution
dc.subject.enQuantum dot effect
dc.subject.enColor
dc.subject.enSynthesis
dc.subject.enCharacterization
dc.subject.enCrystal structure
dc.subject.enMetal clusters
dc.title.enSynthesis and characterization of [PtIn6](GeO4)2O and its solid solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 < x < 2): gradual color change of the solid solution from black (x = 0) to yellow (x = 2) as a consequence of quantum dot effect
dc.typeArticle de revue
dc.identifier.doi10.1021/ja053280x
dc.subject.halChimie/Matériaux
bordeaux.journalJournal of the American Chemical Society
bordeaux.pagep. 12990-12996
bordeaux.volumevol. 127, n° 37
bordeaux.peerReviewedoui
hal.identifierhal-00097948
hal.version1
hal.popularnon
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00097948v1
bordeaux.COinSctx_ver=Z39.88-2004&amp;rft_val_fmt=info:ofi/fmt:kev:mtx:journal&amp;rft.jtitle=Journal%20of%20the%20American%20Chemical%20Society&amp;rft.date=2005&amp;rft.volume=vol.%20127,%20n%C2%B0%2037&amp;rft.spage=p.%2012990-12996&amp;rft.epage=p.%2012990-12996&amp;rft.eissn=0002-7863&amp;rft.issn=0002-7863&amp;rft.au=K%C3%96HLER,%20J%C3%BCrgen&amp;FRIEDRICH,%20Holger&amp;WHANGBO,%20Myung-Hwan&amp;VILLESUZANNE,%20Antoine&amp;rft.genre=article


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record