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Raman Fingerprints of π-Electron Delocalization in Polythiophene-Based Insulated Molecular Wires
dc.contributor.author | Mosca, Sara | |
dc.contributor.author | Milani, Alberto | |
dc.contributor.author | Castiglioni, Chiara | |
dc.contributor.author | Hernández-Jolín, Víctor | |
dc.contributor.author | Meseguer, Cristóbal | |
dc.contributor.author | López-Navarrete, Juan Teodomiro | |
dc.contributor.author | Zhao, Chunhui | |
dc.contributor.author | Sugiyasu, Kazunori | |
dc.contributor.author | Ruiz-Delgado, María del Carmen | |
dc.date.accessioned | 2022-07-13T07:34:18Z | |
dc.date.available | 2022-07-13T07:34:18Z | |
dc.date.issued | 2022-04-22 | |
dc.identifier.citation | Mosca, Sara ; Milani, Alberto ; Castiglioni, Chiara ; Hernández-Jolín, Víctor ; Meseguer, Cristóbal ; López Navarrete, Juan T. ; Zhao, Chunhui ; Sugiyasu, Kazunori ; Ruíz-Delgado, María del Carmen. Macromolecules 2022, 55, 9, 3458–3468 Publication Date:April 22, 2022 https://doi.org/10.1021/acs.macromol.1c02458 | es_ES |
dc.identifier.uri | https://hdl.handle.net/10630/24655 | |
dc.description.abstract | Insulated polythiophenes with a polyrotaxane-like 3D architecture have shown excellent intrawire hole mobility, allowing their use in interesting optoelectronic applications. This is due to the isolation of the π-conjugated backbones that warrants for stabilization of the quasi-planar conformation of the polythiophene core and prevents electronic communication between adjacent chains. Thus, polythiophene-based insulated molecular wires (IMWs) constitute ideal test-beds to evaluate the structural changes within the conjugated polymer chain, such as intrachain conformation and π-electron delocalization. Here, we investigate the structure and spectroscopic response of fully and partially insulated polythiophene-based IMWs. An experimental investigation of Raman spectra supported by density functional theory (DFT) calculations allows us to give a detailed interpretation of intramolecular interactions, highlighting differences in π-electron conjugation revealed by the presence of an intensity transfer between the two main Raman modes associated with the C═C/C–C stretching vibrations. This study proves the sensitivity of Raman spectroscopy as a technique to monitor structural changes in self-encapsulated conjugated polymers. | es_ES |
dc.description.sponsorship | This work at the University of Málaga was funded by the MICINN (PID2019-110305GB-I00) and Junta de Andalucía (UMA18-FEDERJA-080, P09FQM-4708, and P18-FR-4559) projects. The authors thankfully acknowledge the computer resources, technical expertise, and assistance provided by the SCBI (Supercomputing and Bioinformatics) Center of the University of Malaga. Funding for open access charge: Universidad de Málaga / CBUA. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | ACS | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.subject | Oligómeros (Polímeros) | es_ES |
dc.subject.other | Copolymers | es_ES |
dc.subject.other | Defects | es_ES |
dc.subject.other | Oligomers | es_ES |
dc.subject.other | Polymers | es_ES |
dc.title | Raman Fingerprints of π-Electron Delocalization in Polythiophene-Based Insulated Molecular Wires | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.centro | Facultad de Ciencias | es_ES |
dc.identifier.doi | 10.1021/acs.macromol.1c02458 | |
dc.rights.cc | Atribución 4.0 Internacional | * |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es_ES |