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
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/49098
Title:
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The triplet excited state of the biocative compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation
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Author:
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BARTOVSKY, PAVEL
Domingo, Luis R.
Jornet Olivé, Maria Dolors
Miranda Alonso, Miguel Ángel
Tormos Faus, Rosa Esperanza
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UPV Unit:
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Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Departamento de Química - Departament de Química
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Issued date:
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Abstract:
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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 ...[+]
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.
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Subjects:
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Polarizable continuum model
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Beta-Cyclodextrin
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Human-Serum
,
Benzimidazole
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Density
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Solvent
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Approximation
,
Optimization
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Transition
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Proteins
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Copyrigths:
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Reserva de todos los derechos
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Source:
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Chemical Physics Letters. (issn:
0009-2614
)
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DOI:
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10.1016/j.cplett.2012.01.001
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Publisher:
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Elsevier
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Publisher version:
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http://dx.doi.org/10.1016/j.cplett.2012.01.001
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Project ID:
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info:eu-repo/grantAgreement/MICINN//CTQ2009-11027/ES/Estudios de reactividad en química orgánica/
info:eu-repo/grantAgreement/MICINN//CTQ2010-19909/ES/MECANISMOS IMPLICADOS EN LA FOTO-REACTIVIDAD ENTRE FARMACOS CON PROPIEDADES ANTINEOPLASICAS Y SUS BIOMOLECULAS DIANA/
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Thanks:
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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.
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Type:
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Artículo
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