Publicación:
Study of the Crystal Structure and Hydrogen Bonding during Cold Crystallization of Poly(trimethylene 2,5-furandicarboxylate)

Vista sencilla de ítem
dc.contributor.authorToledano Sanz, Óscar
dc.contributor.authorGálvez González, Óscar
dc.contributor.authorSanz Monasterio, Mikel
dc.contributor.authorGarcía Arcos, Carlos
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.contributor.orcidhttps://orcid.org/0000-0002-2494-3551
dc.contributor.orcidhttps://orcid.org/0000-0002-3604-1512
dc.contributor.orcidhttps://orcid.org/0000-0003-4751-2209
dc.contributor.orcidhttps://orcid.org/0000-0002-5521-1847
dc.contributor.orcidhttps://orcid.org/0000-0002-9670-6395
dc.contributor.orcidhttps://orcid.org/0000-0001-9966-519X
dc.date.accessioned2025-01-03T13:17:20Z
dc.date.available2025-01-03T13:17:20Z
dc.date.issued2024-02-25
dc.descriptionLa versión registrada de este artículo, publicado por primera vez en Macromolecules 2024, 57, 5, 2218–2229, está disponible en línea en el sitio web del editor: https://doi.org/10.1021/acs.macromol.3c02471 The copyrighted version of this article, first published in Macromolecules 2024, 57, 5, 2218–2229, is available online at the publisher's website: https://doi.org/10.1021/acs.macromol.3c02471
dc.description.abstractHere, we present a detailed description of the in situ isothermal crystallization of poly(trimethylene 2,5-furandicarboxylate)(PTF) as revealed by real-time Fourier transform infrared spectroscopy (FTIR) and grazing incidence wide-angle X-ray scattering (GIWAXS). From FTIR experiments, the evolution of hydrogen bonding with crystallization time can be monitored in real time, while from GIWAXS, crystal formation can be followed. Density functional theory (DFT) calculations have been used to simulate FTIR spectra for different theoretical structures, enabling a precise band assignment. In addition, based on DFT ab initio calculations, the influence of hydrogen bonding on the evolution with crystallization time can be understood. Moreover, from DFT calculations and comparison with both FTIR and GIWAXS experiments, a crystalline structure of poly(trimethylene 2,5-furandicarboxylate) is proposed. Our results demonstrate that hydrogen bonding is present in both the crystalline and the amorphous phases and its rearrangement can be considered as a significant driving force for crystallization of poly(alkylene 2,5-furanoate)s.en
dc.description.versionversión publicada
dc.identifier.citationO. Toledano, O. Gálvez, M. Sanz, C. G. Arcos, E. Rebollar, A. Nogales, M.C. García-Gutiérrez, G. Santoro, I. Irska, S. Paszkiewicz, A. Szymczyk and T. A. Ezquerra; Study of the Crystal Structure and Hydrogen Bonding during Cold Crystallization of Poly(trimethylene 2,5-furandicarboxylate); Macromolecules 2024, 57, 5, 2218–2229; https://doi.org/10.1021/acs.macromol.3c02471
dc.identifier.doihttps://doi.org/10.1021/acs.macromol.3c02471
dc.identifier.issn0024-9297; eISSN: 1520-5835
dc.identifier.urihttps://hdl.handle.net/20.500.14468/25105
dc.journal.issue5
dc.journal.titleMacromolecules
dc.journal.volume57
dc.language.isoen
dc.publisherAmerican Chemical Society
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/4.0/deed.es
dc.subject23 Química::2307 Química física
dc.titleStudy of the Crystal Structure and Hydrogen Bonding during Cold Crystallization of Poly(trimethylene 2,5-furandicarboxylate)en
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublication72b031b9-d091-4c35-b48f-b97c34b9d539
relation.isAuthorOfPublication8c553812-bd9e-4899-87cc-ad40e9bd8338
relation.isAuthorOfPublicationa590159f-d18a-405e-91bc-d7c98b8684f2
relation.isAuthorOfPublication76e632b5-26c6-4630-bbd7-9cd4e3f3388f
relation.isAuthorOfPublication.latestForDiscovery72b031b9-d091-4c35-b48f-b97c34b9d539
Archivos
Bloque original
Mostrando 1 - 1 de 1
Miniatura
Nombre:
Toledano-et-al-2024-study-of-the-crystal-stru_OSCAR GALVEZ.pdf
Tamaño:
5.94 MB
Formato:
Adobe Portable Document Format
Descargar
Bloque de licencias
Mostrando 1 - 1 de 1
No hay miniatura disponible
Nombre:
license.txt
Tamaño:
3.62 KB
Formato:
Item-specific license agreed to upon submission
Descripción:
Descargar
Colecciones
Artículos y papers