Document type
Journal articles
Document subtype
Full paper
Title
Using solvatochromic probes to investigate intermolecular interactions in 1,4-dioxane/methanol/acetonitrile solvent mixtures
Participants in the publication
Ricardo Nunes (Author)
Nélson Nunes (Author)
Ruben Elvas-Leitão (Author)
CQE
Filomena Martins (Author)
Dep. Química e Bioquímica
CQB
Summary
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.
Date of Submisson/Request
2018-05-17
Date of Acceptance
2018-06-18
Date of Publication
2018-06-20
Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Where published
Journal of Molecular Liquids
Publication Identifiers
ISSN - 0167-7322
Publisher
Elsevier BV
Number of pages
10
Starting page
259
Last page
268
Document Identifiers
DOI -
https://doi.org/10.1016/j.molliq.2018.06.071
URL -
http://dx.doi.org/10.1016/j.molliq.2018.06.071
Rankings
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