Cove‐Edged Nanographenes with Localized Double Bonds
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http://hdl.handle.net/10045/106788
Títol: | Cove‐Edged Nanographenes with Localized Double Bonds |
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Autors: | Gu, Yanwei | Muñoz‐Mármol, Rafael | Wu, Shaofei | Han, Yi | Ni, Yong | Díaz-García, María A. | Casado, Juan | Wu, Jishan |
Grups d'investigació o GITE: | Física de la Materia Condensada |
Centre, Departament o Servei: | Universidad de Alicante. Departamento de Física Aplicada | Universidad de Alicante. Instituto Universitario de Materiales |
Paraules clau: | Aromaticity | Contorted aromatics | Cove edge | Nanographenes | Optoelectronics |
Àrees de coneixement: | Física de la Materia Condensada |
Data de publicació: | 18-de maig-2020 |
Editor: | Wiley-VCH Verlag GmbH & Co. KGaA |
Citació bibliogràfica: | Angewandte Chemie International Edition. 2020, 59(21): 8113-8117. doi:10.1002/anie.202000326 |
Resum: | The efficient synthesis and electronic properties of two large‐size cove‐edged nanographenes (NGs), CN1 and CN2, are presented. X‐ray crystallographic analysis reveals a contorted backbone for both molecules owing to the steric repulsion at the inner cove position. Noticeably, the dominant structures of these molecules contain four (for CN1) or six (for CN2) localized C=C double bonds embedded in nine (for CN1) or twelve (for CN2) aromatic sextet rings according to Clar's formula, which is supported by bond length analysis and theoretical (NICS, ACID) calculations. Furthermore, Raman spectra exhibit a band associated with the longitudinal CC stretching mode of olefinic double bonds. Owing to the existence of the additional olefinic bonds, both compounds show a small band gap (1.84 eV for CN1 and 1.37 eV for CN2). They also display moderate fluorescence quantum yield (35 % for CN1 and 50 % for CN2) owing to the contorted geometry, which can suppress aggregation in solution. |
Patrocinadors: | J.W. acknowleges financial support from the MOE Tier 3 programme (MOE2014-T3-1-004) and NRF Investigatorship (NRF-NRFI05-2019-0005). J.C. acknowledges MINECO and Junta de Andalucía of Spain projects (PGC2018-098533-BI00 and UMA18FEDERJA057). M.A.D.-G. and R.M.-M. thank support from MINECO through the research project MAT2015-66586-R and the FPI fellowship (no. BES-2016-077681), respectively. |
URI: | http://hdl.handle.net/10045/106788 |
ISSN: | 1433-7851 (Print) | 1521-3773 (Online) |
DOI: | 10.1002/anie.202000326 |
Idioma: | eng |
Tipus: | info:eu-repo/semantics/article |
Drets: | © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim |
Revisió científica: | si |
Versió de l'editor: | https://doi.org/10.1002/anie.202000326 |
Apareix a la col·lecció: | INV - Física de la Materia Condensada - Artículos de Revistas |
Arxius per aquest ítem:
Arxiu | Descripció | Tamany | Format | |
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Wu_etal_2020_AngewChemIntEd_final.pdf | Versión final (acceso restringido) | 2,23 MB | Adobe PDF | Obrir Sol·licitar una còpia |
Wu_etal_2020_AngewChemIntEd_accepted.pdf | Accepted Manuscript (acceso abierto) | 3,01 MB | Adobe PDF | Obrir Vista prèvia |
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