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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. Isabel

We 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...


A comparative study of water soluble 5,10,15,20-tetrakis(2,6-dichloro-3-sulfoph...

Monteiro, Carlos J. P.; Pereira, Mariette M.; Azenha, M. Emilia; Burrows, Hugh D.; Serpa, Carlos; Arnaut, Luís G.; Tapia, M. J.; Sarakha, Mohamed

5,10,15,20-Tetrakis(2,6-dichloro-3-chlorosulfophenyl)porphyrin and its tin and zinc complexes were synthesized with high yields and fully characterized. The corresponding water-soluble 5,10,15,20-tetrakis(2,6-dichloro-3-sulfophenyl)porphyrins were obtained by hydrolysis with water. An extensive photophysical study of the new water soluble porphyrinic compounds was carried out including absorption and fluorescen...


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. Isabel

We 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. N

A 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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Fundação para a Ciência e a Tecnologia Universidade do Minho   Governo Português Ministério da Educação e Ciência Programa Operacional da Sociedade do Conhecimento União Europeia