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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/54490
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dc.creatorMário Sérgio de Carvalho Mazzonipt_BR
dc.creatorJosé Roberto de Toledopt_BR
dc.creatorEverton Pereira de Andradept_BR
dc.creatorKlaus Wilhelm Heinrich Krambrockpt_BR
dc.creatorLuiz Alberto Curypt_BR
dc.creatorÂngelo Malachias de Souzapt_BR
dc.creatorGustavo de Almeida Magalhães Sáfarpt_BR
dc.date.accessioned2023-06-05T12:57:50Z-
dc.date.available2023-06-05T12:57:50Z-
dc.date.issued2021-
dc.citation.volume23pt_BR
dc.citation.issue4pt_BR
dc.citation.spage1pt_BR
dc.citation.epage4pt_BR
dc.identifier.doihttps://doi.org/10.1002/cphc.202100752pt_BR
dc.identifier.issn1439-7641pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/54490-
dc.description.resumoThe fine structure in the spectral lines of the visible fluorescence of Tb3+ complexes are replaced by a single peak in the case of a singular molecular complex Tb(H3PTC)3, where H4PTC represents perylene-3,4,9,10-tetracarboxylic acid, and its emission wavelength depends on the film thickness. This single peak challenges the old creed that the f-orbital electrons of Tb3+ are always protected from the influence of the surrounding atoms. We perform density functional theory calculations to show that the wavefunction of the ground state is localized and in addition, spin-polarized, and this facilitates fluorescent transitions under UV to the first excited state instead of the fundamental state. We discuss the possibility of making a spintronic device with the molecule, Tb(H3PTC)3.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipINCT – Instituto nacional de ciência e tecnologia (Antigo Instituto do Milênio)pt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofChemPhysChem-
dc.rightsAcesso Restritopt_BR
dc.subjectSpin filterpt_BR
dc.subjectFluorescencept_BR
dc.subjectPi-stackinpt_BR
dc.subjectSpintronicspt_BR
dc.subject.otherFluorescênciapt_BR
dc.titleThe special case of the spectral emission of a Tb3+ mono metal complexpt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cphc.202100752pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-5897-6936pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-9785-0279pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-3686-2732pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-7562-0285pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0763-4431pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-8703-4283pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-1354-3138pt_BR
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