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On the Low-Lying Excited States of sym-Triazine-Based Herbicides
Oliva, Josep M.; Azenha, M. Emilia D. G.; Burrows, Hugh D.; Coimbra, Rita; Melo, J. Serxio Seixas de; L., Moisés Canle; Fernández, M. IsabelWe report a joint computational and luminescence study on the low-lying excited states of sym-triazines, namely, 1,3,5-triazine (1) and the ubiquitous herbicides atrazine [6-chloro-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine (2)] and ametryn [6-methylthio-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine (3)]. Geometrical structures, energetics, and transition and state properties of 1 and 2 were computed a...
On the Low-Lying Excited States of sym-Triazine-Based Herbicides
Oliva, Josep M.; Azenha, M. Emilia D. G.; Burrows, Hugh D.; Coimbra, Rita; Melo, J. Sérgio Seixas de; L., Moisés Canle; Fernández, M. IsabelWe report a joint computational and luminescence study on the low-lying excited states of sym-triazines, namely, 1,3,5-triazine (1) and the ubiquitous herbicides atrazine [6-chloro-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine (2)] and ametryn [6-methylthio-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine (3)]. Geometrical structures, energetics, and transition and state properties of 1 and 2 were computed a...
Deactivation processes of the lowest excited state of [UO2(H2O)5]2+ in aqueous ...
Formosinho, Sebastião J.; Burrows, Hugh D.; Miguel, Maria da Graça; Azenha, M. Emília D. G.; Saraiva, Isabel M.; Ribeiro, A. Catarina D. NA detailed analysis of the photophysical behaviour of uranyl ion in aqueous solutions at room temperature is given using literature data, together with results of new experimental and theoretical studies to see whether the decay mechanism of the lowest excited state involves physical deactivation by energy transfer or a chemical process through hydrogen atom abstraction. Comparison of the radiative lifetimes de...
Cation Association with Sodium Dodecyl Sulfate Micelles As Seen by Lanthanide L...
Tapia, María José; Burrows, Hugh D.; Azenha, M. Emília D. G.; Miguel, M. da Graça; Pais, A. A. C. C.; Sarraguça, J. M. G.The interaction of trivalent lanthanides with sodium dodecyl sulfate micelles (SDS) in aqueous solution has been studied by a variety of experimental techniques. Potentiometric measurements with a sodium selective electrode, steady-state fluorescence spectra of Ce(III), emission lifetime measurements of Ce(III), Tb(III), and Eu(III), and electronic paramagnetic resonance spectra (EPR) of Gd(III) all show that t...
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