Tipo
Artigos em Revista
Tipo de Documento
Artigo Completo
Título
Using solvatochromic probes to investigate intermolecular interactions in 1,4-dioxane/methanol/acetonitrile solvent mixtures
Participantes na publicação
Ricardo Nunes (Author)
Nélson Nunes (Author)
Ruben Elvas-Leitão (Author)
CQE
Filomena Martins (Author)
Dep. Química e Bioquímica
CQB
Resumo
UV–Vis absorption spectra of five solvatochromic probes namely, betaine (30), 4-nitrophenol, 4-nitroanisole, 4-nitroaniline and N,N-dimethyl-4-nitroaniline, were obtained at 298.15?K in the binary systems 1,4-dioxane/methanol (MeOH) and 1,4-dioxane/acetonitrile (MeCN), and in the ternary system 1,4-dioxane/methanol/acetonitrile, in a total of 40 new solvent mixtures. Preferential solvation trends were assessed through the Bosch and Rosès formalism for the binary mixtures, and the extended model approach for the ternary mixture, thus allowing the setting up of a preferential solvation order for all entities present in solution, including solvent “complexes”. Synergistic behaviors were spotted in most binary mixtures involving 1,4-dioxane but not in the ternary system which is dominated by a combination of contributions from the three underlying binary mixtures.\\\\n\\\\nKamlet-Taft parameters π*, α and β were also computed for all 40 systems and their variation with composition was thoroughly examined. The addition of small amounts of 1,4-dioxane to the mixtures was seen to cause a significant variation in π*, whereas on the other extreme, in dioxane rich mixtures, a large effect in α was observed, particularly for the system 1,4-dioxane/methanol.
Data de Submissão/Pedido
2018-05-17
Data de Aceitação
2018-06-18
Data de Publicação
2018-06-20
Instituição
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Suporte
Journal of Molecular Liquids
Identificadores da Publicação
ISSN - 0167-7322
Editora
Elsevier BV
Número de Páginas
10
Página Inicial
259
Página Final
268
Identificadores do Documento
DOI -
https://doi.org/10.1016/j.molliq.2018.06.071
URL -
http://dx.doi.org/10.1016/j.molliq.2018.06.071
Identificadores de Qualidade
SCIMAGO Q1 (2018) - 0.862 - Spectroscopy
SCIMAGO Q2 (2018) - 0.862 - Physical and Theoretical Chemistry
SCOPUS Q1 (2017) - 0.849 - Spectroscopy
SCOPUS Q1 (2017) - 0.849 - Physical and Theoretical Chemistry
Web Of Science Q1 (2018) - 4.561 - PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE
Web Of Science Q2 (2018) - 4.561 - CHEMISTRY, PHYSICAL - SCIE
Keywords
Solvatochromic probes
Kamlet-Taft parameters
Solvent exchange models
Preferential solvation
Binary and ternary mixtures
1 4-Dioxane