Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

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dc.contributor.authorOliveira, Eliezer Fernando [UNESP]
dc.contributor.authorShi, Junqing
dc.contributor.authorLavarda, Francisco Carlos [UNESP]
dc.contributor.authorLüer, Larry
dc.contributor.authorMilián-Medina, Begoña
dc.contributor.authorGierschner, Johannes
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionIMDEA Nanoscience
dc.contributor.institutionUniversity of Valencia
dc.date.accessioned2018-12-11T17:33:14Z
dc.date.available2018-12-11T17:33:14Z
dc.date.issued2017-07-21
dc.description.abstractA time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the performance of various density functional theory functionals is tested to reveal the full vibronic ESA features of DSB at short and long probe delay times.en
dc.description.affiliationUNESP-Universidade Estadual Paulista POSMAT-Graduate Program in Material Science and Technology, Av. Eng. Luiz Edmundo Carrijo Coube 14-01
dc.description.affiliationInstitute for Advanced Studies IMDEA Nanoscience Campus Cantoblanco, C/ Faraday 9
dc.description.affiliationDF-FC UNESP-Universidade Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube 14-01
dc.description.affiliationDepartment for Physical Chemistry Faculty of Chemistry University of Valencia, Avenida Dr. Moliner 50
dc.description.affiliationUnespUNESP-Universidade Estadual Paulista POSMAT-Graduate Program in Material Science and Technology, Av. Eng. Luiz Edmundo Carrijo Coube 14-01
dc.description.affiliationUnespDF-FC UNESP-Universidade Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube 14-01
dc.description.sponsorshipFederación Española de Enfermedades Raras
dc.description.sponsorshipMinisterio de Economía y Competitividad
dc.description.sponsorshipIdFederación Española de Enfermedades Raras: CTQ2014-58801
dc.identifierhttp://dx.doi.org/10.1063/1.4993216
dc.identifier.citationJournal of Chemical Physics, v. 147, n. 3, 2017.
dc.identifier.doi10.1063/1.4993216
dc.identifier.file2-s2.0-85024876902.pdf
dc.identifier.issn0021-9606
dc.identifier.scopus2-s2.0-85024876902
dc.identifier.urihttp://hdl.handle.net/11449/179033
dc.language.isoeng
dc.relation.ispartofJournal of Chemical Physics
dc.relation.ispartofsjr1,252
dc.rights.accessRightsAcesso aberto
dc.sourceScopus
dc.titleExcited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysisen
dc.typeArtigo
unesp.author.orcid0000-0001-8177-7919[6]
unesp.departmentFísica - FCpt

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