The special case of the spectral emission of a Tb3+ mono metal complex

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dc.creatorMário Sérgio de Carvalho Mazzoni
dc.creatorJosé Roberto de Toledo
dc.creatorEverton Pereira de Andrade
dc.creatorKlaus Wilhelm Heinrich Krambrock
dc.creatorLuiz Alberto Cury
dc.creatorÂngelo Malachias de Souza
dc.creatorGustavo de Almeida Magalhães Sáfar
dc.date.accessioned2023-06-05T12:57:50Z
dc.date.accessioned2025-09-09T00:04:55Z
dc.date.available2023-06-05T12:57:50Z
dc.date.issued2021
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipINCT – Instituto nacional de ciência e tecnologia (Antigo Instituto do Milênio)
dc.identifier.doihttps://doi.org/10.1002/cphc.202100752
dc.identifier.issn1439-7641
dc.identifier.urihttps://hdl.handle.net/1843/54490
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofChemPhysChem
dc.rightsAcesso Restrito
dc.subjectFluorescência
dc.subject.otherSpin filter
dc.subject.otherFluorescence
dc.subject.otherPi-stackin
dc.subject.otherSpintronics
dc.titleThe special case of the spectral emission of a Tb3+ mono metal complex
dc.typeArtigo de periódico
local.citation.epage4
local.citation.issue4
local.citation.spage1
local.citation.volume23
local.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.
local.identifier.orcidhttps://orcid.org/0000-0001-5897-6936
local.identifier.orcidhttps://orcid.org/0000-0001-9785-0279
local.identifier.orcidhttps://orcid.org/0000-0002-3686-2732
local.identifier.orcidhttps://orcid.org/0000-0002-7562-0285
local.identifier.orcidhttps://orcid.org/0000-0002-0763-4431
local.identifier.orcidhttps://orcid.org/0000-0002-8703-4283
local.identifier.orcidhttps://orcid.org/0000-0003-1354-3138
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cphc.202100752

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