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dc.contributor.author | BARTOVSKY, PAVEL![]() |
es_ES |
dc.contributor.author | Domingo, Luis R.![]() |
es_ES |
dc.contributor.author | Jornet Olivé, Maria Dolors![]() |
es_ES |
dc.contributor.author | Miranda Alonso, Miguel Ángel![]() |
es_ES |
dc.contributor.author | Tormos Faus, Rosa Esperanza![]() |
es_ES |
dc.date.accessioned | 2015-04-22T07:35:53Z | |
dc.date.available | 2015-04-22T07:35:53Z | |
dc.date.issued | 2012-02-16 | |
dc.identifier.issn | 0009-2614 | |
dc.identifier.uri | http://hdl.handle.net/10251/49098 | |
dc.description.abstract | Fluorescence spectroscopy, laser flash photolysis (LPF), and density functional theory calculations have been performed to characterize the photobehavior of thiabendazole (1). Direct LFP of 1 results in the generation of a transient absorbing at λmax = 570 nm identified as the triplet excited state (31∗). The intersystem crossing quantum yield is 0.91, and the triplet energy is 288 kJ mol−1. The singlet–triplet energy gap is 84 kJ mol−1. The behavior of thiabendazole within CDs results in a marked enhancement of the triplet lifetime, this change is attributed to the mobility restrictions of included 1 imposed by the cyclodextrin cavities. | es_ES |
dc.description.sponsorship | Financial support from the MICINN (Grants: CTQ2009-11027/BQU, CTQ2010-19909 and pre-doctoral fellowship to P.B.) and the Generalitat Valenciana (Prometeo Program) is gratefully acknowledged. | en_EN |
dc.language | Inglés | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation.ispartof | Chemical Physics Letters | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.subject | Polarizable continuum model | es_ES |
dc.subject | Beta-Cyclodextrin | es_ES |
dc.subject | Human-Serum | es_ES |
dc.subject | Benzimidazole | es_ES |
dc.subject | Density | es_ES |
dc.subject | Solvent | es_ES |
dc.subject | Approximation | es_ES |
dc.subject | Optimization | es_ES |
dc.subject | Transition | es_ES |
dc.subject | Proteins | es_ES |
dc.subject.classification | QUIMICA ORGANICA | es_ES |
dc.title | The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1016/j.cplett.2012.01.001 | |
dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//CTQ2009-11027/ES/Estudios de reactividad en química orgánica/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//CTQ2010-19909/ES/MECANISMOS IMPLICADOS EN LA FOTO-REACTIVIDAD ENTRE FARMACOS CON PROPIEDADES ANTINEOPLASICAS Y SUS BIOMOLECULAS DIANA/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Departamento de Química - Departament de Química | es_ES |
dc.description.bibliographicCitation | Bartovsky, P.; Domingo, LR.; Jornet Olivé, MD.; Miranda Alonso, MÁ.; Tormos Faus, RE. (2012). The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation. Chemical Physics Letters. 525-526:166-170. https://doi.org/10.1016/j.cplett.2012.01.001 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | http://dx.doi.org/10.1016/j.cplett.2012.01.001 | es_ES |
dc.description.upvformatpinicio | 166 | es_ES |
dc.description.upvformatpfin | 170 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 525-526 | es_ES |
dc.relation.senia | 211119 | |
dc.contributor.funder | Ministerio de Ciencia e Innovación | es_ES |
dc.contributor.funder | Generalitat Valenciana | es_ES |