BARTOVSKY, PAVELDomingo, Luis R.Jornet Olivé, Maria DolorsMiranda Alonso, Miguel ÁngelTormos Faus, Rosa Esperanza2015-04-222015-04-222012-02-160009-2614https://riunet.upv.es/handle/10251/49098Fluorescence 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.Reserva de todos los derechosPolarizable continuum modelBeta-CyclodextrinHuman-SerumBenzimidazoleDensitySolventApproximationOptimizationTransitionProteinsQUIMICA ORGANICAArtículo10.1016/j.cplett.2012.01.001Abierto