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Inter and intra molecular dynamics in poly(trimethylene 2,5-furanoate) as revealed by infrared and Broadband Dielectric Spectroscopies

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dc.contributor.authorGálvez González, Óscar
dc.contributor.authorToledano Sanz, Óscar
dc.contributor.authorHermoso,Francisco Javier
dc.contributor.authorLinares, A.
dc.contributor.authorSanz Monasterio, Mikel
dc.contributor.authorRebollar, Esther
dc.contributor.authorNogales, Aurora
dc.contributor.authorGarcía Gutiérrez, Mari Cruz
dc.contributor.authorSantoro, Gonzalo
dc.contributor.authorIrska, Izabela
dc.contributor.authorPaszkiewicz, Sandra
dc.contributor.authorSzymczyk, Anna
dc.contributor.authorEzquerra, Tiberio A.
dc.date.accessioned2025-01-03T13:01:55Z
dc.date.available2025-01-03T13:01:55Z
dc.date.issued2023-02-22
dc.descriptionLa versión registrada de este artículo, publicado por primera vez en Polymer, Volume 268, 2023, 125699, ISSN 0032-3861, está disponible en línea en el sitio web del editor: https://doi.org/10.1016/j.polymer.2023.125699 The copyrighted version of this article, first published in Polymer, Volume 268, 2023, 125699, ISSN 0032-3861, is available online at the publisher's website: https://doi.org/10.1016/j.polymer .2023.125699
dc.description.abstractInfrared spectroscopy (IR) and Broadband Dielectric Spectroscopy (BDS) experiments have been performed in poly(trimethylene 2,5-furanoate)(PTF) and poly(trimethylene terephthalate)(PTT) below their glass transition temperatures. The BDS experiments reveal a richer inter-molecular dynamic for PTT as characterized by a multimodal β relaxation in contrast with the monomodal one exhibited by PTF. The evolution with temperature of comparable IR absorption bands is very similar for PTF and PTT and shows small shifts in wavenumbers towards lower values, with exception of the band related to the stretching mode of the carbonyl group. In addition, a significant difference appears in the shape of the bands associated with the –Cdouble bondO stretching. While for PTT the absorption feature is comprised of a single component, that for PTF exhibits several components suggesting the presence of hydrogen bonds. This effect may be responsible for the monomodal shape of the β relaxation of PTF since a higher degree of intramolecular coupling between the furan ring and the rest of the monomer is expected. Density Functional Theory (DFT) calculations support the experimental results revealing that as temperature increases an increment of the syn conformations of the 2,5-furandicarboxylic acid (FDCA) moiety is likely to occur in the amorphous state. The energy gain from more stable anti to less stable syn isomers can be compensated by the formation of hydrogen bonds between interchain FDCA moieties in syn conformations. This effect may cause additional hindrance to the intermolecular dynamics of the dielectric β relaxation. It is conceivable that the hindrance exhibited by PTF in both intra and inter-molecular dynamics may play a role in the reduction of gas diffusion and permeability of PTF in comparison with PTT.en
dc.description.versionversión publicada
dc.identifier.citationO. Gálvez, O. Toledano, F.J. Hermoso, A. Linares, M. Sanz, E. Rebollar, A. Nogales, M.C. García-Gutiérrez, G. Santoro, I. Irska, S. Paszkiewicz, A. Szymczyk, T. A. Ezquerra; Inter and intra molecular dynamics in poly(trimethylene 2,5-furanoate) as revealed by infrared and Broadband Dielectric Spectroscopies, Polymer, Volume 268, 2023, 125699, ISSN 0032-3861, https://doi.org/10.1016/j.polymer.2023.125699
dc.identifier.doihttps://doi.org/10.1016/j.polymer.2023.125699
dc.identifier.issn0032-3861; e-ISSN: 1873-2291
dc.identifier.urihttps://hdl.handle.net/20.500.14468/25104
dc.journal.titlePolymer
dc.journal.volume268
dc.language.isoen
dc.publisherElsevier
dc.relation.centerFacultades y escuelas::Facultad de Ciencias
dc.relation.departmentFísica Interdisciplinar
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject23 Química::2307 Química física
dc.subject.keywordsPoly(alkylene 2,5-furanoate)sen
dc.subject.keywordsinfrared spectroscopyen
dc.subject.keywordsbroadband dielectric spectroscopyen
dc.subject.keywordsbarrier propertiesen
dc.subject.keywordsdielectric relaxationen
dc.titleInter and intra molecular dynamics in poly(trimethylene 2,5-furanoate) as revealed by infrared and Broadband Dielectric Spectroscopiesen
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublication8c553812-bd9e-4899-87cc-ad40e9bd8338
relation.isAuthorOfPublication72b031b9-d091-4c35-b48f-b97c34b9d539
relation.isAuthorOfPublicationa590159f-d18a-405e-91bc-d7c98b8684f2
relation.isAuthorOfPublication.latestForDiscovery8c553812-bd9e-4899-87cc-ad40e9bd8338
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