Chiral Single-Molecule Potentiometers Based on Stapled ortho- Oligo(phenylene)ethynylenes
| Autor: | Ana M. Ortuño, Pablo Reiné, Luis Álvarez de Cienfuegos, Irene R. Márquez, Wynand Dednam, Enrico B. Lombardi, Juan J. Palacios, Edmund Leary, Giovanna Longhi, Vladimiro Mujica, Alba Millán, M. Teresa González, Linda A. Zotti, Delia Miguel, Juan M. Cuerva |
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| Přispěvatelé: | UAM. Departamento de Física de la Materia Condensada |
| Jazyk: | angličtina |
| Rok vydání: | 2023 |
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| Popis: | We report on the chemical design of chiral molecular junctions with stress-dependent conductance, whose helicity is maintained during the stretching of a single molecule junction due to the stapling of both ends of the inner helix. In the reported compounds, different conductive pathways are observed, with clearly different conductance values and plateau-length distributions, attributed to different conformations of the helical structures. The large chiro-optical responses and the potential use of these molecules as unimolecular spin filters have been theoretically proved using state-of-the-art Density Functional Theory (DFT) calculations, including a fully ab-initio estimation of the CISS-originating spin polarization which is done, for the first time, for a realistic molecular system We thank the Spanish MICIN for the “María de Maeztu” Programme for Units of Excellence in R&D (grant No. CEX2018-000805-M). Financial support from MCIN/AEI/ 10.13039/501100011033 is acknowledged by L.A.Z. (grant PID2021-125604NB-I00), E. L. (PID2021-127964NB-C21), D. M. and J. M. C. (PID2020-113059GB-C21), A. M. (PID2021-127964NB-C22) and A. O. G. for her FPU contract (FPU16/02597). We also thank the Universidad Autónoma de Madrid and the Comunidad de Madrid (grants No. SI3/PJI/2021-00191, S2018/NMT-4321 through the Nanomag COST-CM Program and E.L. for Atracción de Talento grant 2019-T1/IND-16384). J. J. P. acknowledges financial support from Spanish MICINN (PID2019- 109539GB-C43) and the Generalitat Valenciana through Programa Prometeo/2021/01. This research was also funded by FEDER/Junta de Andalucía-Consejería de Economía y Conocimiento/P20 00162 and the Visiting Scholar Program in the University of Granada. IMDEA Nanociencia acknowleges support from the ’Severo Ochoa’ Programme for Center of Excelence in R&D (CEX2020-001039-S). |
| Databáze: | OpenAIRE |
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