Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications.
Novel charged D-A+ chromophores based on quinolizinium cations as acceptor unit have been prepared by treating haloquinolizinium salts with N-heteroarylstannanes under Stille reaction conditions. This approach provides an easy access to potential one-dimensional D-A+ and two-dimensional D-A+-D chrom...
| Autores: | , , , , , , , , , , , , |
|---|---|
| Tipo de recurso: | artículo |
| Fecha de publicación: | 2022 |
| País: | España |
| Institución: | Universidad Rey Juan Carlos |
| Repositorio: | BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos |
| OAI Identifier: | oai:burjcdigital.urjc.es:10115/29366 |
| Acceso en línea: | https://hdl.handle.net/10115/29366 |
| Access Level: | acceso abierto |
| Palabra clave: | Quinolizinium cation D-A+(D) unbridged chromophores Nonlinear optical application First hyperpolarizability |
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Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications.Sánchez-Pavón, EsmeraldaRecio, JavierRamirez, Marco AntonioBatanero, BelenClays, KoenMendicuti, FranciscoMarcelo, GemaCarmona, ThaisCastaño, ObisAngelova, SilviaAndres, Jose L.Vaquero, Juan J.Cuadro, Ana M.Quinolizinium cationD-A+(D) unbridged chromophoresNonlinear optical applicationFirst hyperpolarizabilityNovel charged D-A+ chromophores based on quinolizinium cations as acceptor unit have been prepared by treating haloquinolizinium salts with N-heteroarylstannanes under Stille reaction conditions. This approach provides an easy access to potential one-dimensional D-A+ and two-dimensional D-A+-D chromophores in which the acceptor moiety (A+) is the simple azonia cation and the donors are different π-rich N-heterocycles. The first hyperpolarizabilities (β) were measured by hyper-Rayleigh scattering experiments and the experimental data confirmed that the inherent polarization between donor and acceptor fragments modulates the NLO properties. The electronic structures and properties (including both the linear and nonlinear optical properties) of the quinolizinium chromophores were examined by theoretical (DFT, HF and MP2) calculations. A promising strategy for the rational design of D-A building blocks to create new organic-based NLO materials is proposed.Elsevier202420242022info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/10115/29366reponame:BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlosinstname:Universidad Rey Juan CarlosInglésAttribution-NonCommercial-NoDerivs 4.0 Internationalhttps://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:burjcdigital.urjc.es:10115/293662026-06-24T12:48:17Z |
| dc.title.none.fl_str_mv |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| title |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| spellingShingle |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. Sánchez-Pavón, Esmeralda Quinolizinium cation D-A+(D) unbridged chromophores Nonlinear optical application First hyperpolarizability |
| title_short |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| title_full |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| title_fullStr |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| title_full_unstemmed |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| title_sort |
Highly efficient unbridged D-A+(D) chromophores based on the quinolizinium cation for nonlinear optical (NLO) applications. |
| dc.creator.none.fl_str_mv |
Sánchez-Pavón, Esmeralda Recio, Javier Ramirez, Marco Antonio Batanero, Belen Clays, Koen Mendicuti, Francisco Marcelo, Gema Carmona, Thais Castaño, Obis Angelova, Silvia Andres, Jose L. Vaquero, Juan J. Cuadro, Ana M. |
| author |
Sánchez-Pavón, Esmeralda |
| author_facet |
Sánchez-Pavón, Esmeralda Recio, Javier Ramirez, Marco Antonio Batanero, Belen Clays, Koen Mendicuti, Francisco Marcelo, Gema Carmona, Thais Castaño, Obis Angelova, Silvia Andres, Jose L. Vaquero, Juan J. Cuadro, Ana M. |
| author_role |
author |
| author2 |
Recio, Javier Ramirez, Marco Antonio Batanero, Belen Clays, Koen Mendicuti, Francisco Marcelo, Gema Carmona, Thais Castaño, Obis Angelova, Silvia Andres, Jose L. Vaquero, Juan J. Cuadro, Ana M. |
| author2_role |
author author author author author author author author author author author author |
| dc.subject.none.fl_str_mv |
Quinolizinium cation D-A+(D) unbridged chromophores Nonlinear optical application First hyperpolarizability |
| topic |
Quinolizinium cation D-A+(D) unbridged chromophores Nonlinear optical application First hyperpolarizability |
| description |
Novel charged D-A+ chromophores based on quinolizinium cations as acceptor unit have been prepared by treating haloquinolizinium salts with N-heteroarylstannanes under Stille reaction conditions. This approach provides an easy access to potential one-dimensional D-A+ and two-dimensional D-A+-D chromophores in which the acceptor moiety (A+) is the simple azonia cation and the donors are different π-rich N-heterocycles. The first hyperpolarizabilities (β) were measured by hyper-Rayleigh scattering experiments and the experimental data confirmed that the inherent polarization between donor and acceptor fragments modulates the NLO properties. The electronic structures and properties (including both the linear and nonlinear optical properties) of the quinolizinium chromophores were examined by theoretical (DFT, HF and MP2) calculations. A promising strategy for the rational design of D-A building blocks to create new organic-based NLO materials is proposed. |
| publishDate |
2022 |
| dc.date.none.fl_str_mv |
2022 2024 2024 |
| dc.type.none.fl_str_mv |
info:eu-repo/semantics/article |
| format |
article |
| dc.identifier.none.fl_str_mv |
https://hdl.handle.net/10115/29366 |
| url |
https://hdl.handle.net/10115/29366 |
| dc.language.none.fl_str_mv |
Inglés |
| language_invalid_str_mv |
Inglés |
| dc.rights.none.fl_str_mv |
Attribution-NonCommercial-NoDerivs 4.0 International https://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess |
| rights_invalid_str_mv |
Attribution-NonCommercial-NoDerivs 4.0 International https://creativecommons.org/licenses/by-nc-nd/4.0/ |
| eu_rights_str_mv |
openAccess |
| dc.format.none.fl_str_mv |
application/pdf |
| dc.publisher.none.fl_str_mv |
Elsevier |
| publisher.none.fl_str_mv |
Elsevier |
| dc.source.none.fl_str_mv |
reponame:BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos instname:Universidad Rey Juan Carlos |
| instname_str |
Universidad Rey Juan Carlos |
| reponame_str |
BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos |
| collection |
BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos |
| repository.name.fl_str_mv |
|
| repository.mail.fl_str_mv |
|
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1869425382945456128 |
| score |
15.811543 |