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Using solvatochromic probes to investigate intermolecular interactions in 1,4-dioxane/methanol/acetonitrile solvent mixtures

2018-09-15Journal article Restricted access
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dc.contributor.authorNunes, Ricardo
dc.contributor.authorNunes, Nelson
dc.contributor.authorElvas Leitao, Ruben
dc.contributor.authorMartins, Filomena
dc.date.accessioned2018-11-28T10:17:39Z
dc.date.available2018-11-28T10:17:39Z
dc.date.issued2018-09-15
dc.description.abstractUV–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. Kamlet-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.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationNUNES, Ricardo; [et al] – Using solvatochromic probes to investigate intermolecular interactions in 1,4-dioxane/methanol/acetonitrile solvent mixtures. Journal of Molecular Liquids. ISSN 0167-7322. Vol. 266 (2018), pp. 259-268pt_PT
dc.identifier.doihttps://doi.org/10.1016/j.molliq.2018.06.071pt_PT
dc.identifier.issn0167-7322
dc.identifier.issn1873-3166
dc.identifier.urihttp://hdl.handle.net/10400.21/9097
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationPEst-OE/QUI/UI10612/2013pt_PT
dc.relation.publisherversionhttps://reader.elsevier.com/reader/sd/pii/S0167732218325522?token=661468A58C9EB871675B2A0107F9B6AB43F46734FD2728BACF1788288491710EA8FD18465DABFF01FEE9BD6985873DF8pt_PT
dc.subjectSolvatochromic probespt_PT
dc.subjectKamlet-Taft parameterspt_PT
dc.subjectSolvent exchange modelspt_PT
dc.titleUsing solvatochromic probes to investigate intermolecular interactions in 1,4-dioxane/methanol/acetonitrile solvent mixturespt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FMulti%2F00612%2F2013/PT
oaire.citation.endPage268pt_PT
oaire.citation.startPage259pt_PT
oaire.citation.titleJournal of Molecular Liquidspt_PT
oaire.citation.volume266pt_PT
oaire.fundingStream5876
person.familyNameNunes
person.familyNameNunes
person.familyNameElvas Leitao
person.familyNamemartins
person.givenNameRicardo
person.givenNameNelson
person.givenNameRuben
person.givenNamefilomena
person.identifier1344292
person.identifier.ciencia-id1B16-7872-5A09
person.identifier.ciencia-idF41B-8A26-88D4
person.identifier.ciencia-id7F12-A33A-EBAB
person.identifier.orcid0000-0003-2044-9457
person.identifier.orcid0000-0003-4499-0379
person.identifier.orcid0000-0002-2196-412X
person.identifier.orcid0000-0003-4189-1228
person.identifier.ridA-8516-2012
person.identifier.ridD-2452-2009
person.identifier.ridE-6287-2012
person.identifier.scopus-author-id11540776800
person.identifier.scopus-author-id55667178200
person.identifier.scopus-author-id17342433200
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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