Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/218895
COMPARTIR / EXPORTAR:
logo share SHARE logo core CORE BASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE

Invitar a revisión por pares abierta
Título

Competitive hydrogen bonding in supramolecular polymerizations of tribenzylbenzene-1,3,5-tricarboxamides

AutorMabesoone, Mathijs F. J.; Kardas, Sinan; Soria-Carrera, Héctor CSIC ORCID; Barberá, Joaquín CSIC ORCID; Fuente, Jesús M. de la CSIC ORCID; Palmans, Anja R. A.; Fossépré, Mathieu; Surin, Mathieu; Martín-Rapún, Rafael CSIC ORCID
Fecha de publicación2020
EditorRoyal Society of Chemistry (UK)
CitaciónMolecular Systems Design and Engineering 5(4): 820-828 (2020)
ResumenDespite numerous reports on nucleated supramolecular polymerization, the molecular origin of the properties of these supramolecular polymers remains overlooked. Here, the formation of fibers formed by self-assembly of N,N′,N′′-tris(alkoxybenzyl)benzene-1,3,5-tricarboxamides (benzyl-BTAs) has been studied using both simulations and experimental techniques. The simulations show that the fibers exhibit a dynamic behavior with stacking defects that appear and propagate differently depending on the BTA molecular structure. To validate theoretical results, a library of eight benzyl-BTAs has been synthesized to compare their supramolecular polymerizations both in the bulk and in apolar solvents. We show that the molecular organization of monomers and dynamics of supramolecular polymers strongly depend on the number and position of the alkoxy substituents on peripheral phenyl rings. By combining theoretical results with experimental measurements, we elucidate the likely role of competitive hydrogen bonding between the central amides and peripheral ether moieties on the stacking behavior of BTAs and the dynamics of structural defects in supramolecular polymers. Our findings open up new design rules for these dynamic materials.
Versión del editorhttps://doi.org/10.1039/D0ME00030B
URIhttp://hdl.handle.net/10261/218895
DOI10.1039/D0ME00030B
E-ISSN2058-9689
Aparece en las colecciones: (ICMA) Artículos




Ficheros en este ítem:
Fichero Descripción Tamaño Formato
postprint - Mabesoone 2020 - Competitive hydrogen bonding.pdf7,59 MBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo

CORE Recommender

WEB OF SCIENCETM
Citations

7
checked on 23-feb-2024

Page view(s)

117
checked on 28-mar-2024

Download(s)

119
checked on 28-mar-2024

Google ScholarTM

Check

Altmetric

Altmetric


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.