Academic Journal
Chiral Single-Molecule Potentiometers Based on Stapled ortho- Oligo(phenylene)ethynylenes
| العنوان: | Chiral Single-Molecule Potentiometers Based on Stapled ortho- Oligo(phenylene)ethynylenes |
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| المؤلفون: | Ortuño, Ana M, Reiné, Pablo, Álvarez de Cienfuegos, Luis, Márquez, Irene R, Dednam, Wynand, Lombardi, Enrico B, Palacios, Juan J, Leary, Edmund, Longhi, Giovanna, Mujica, Vladimiro, Millán, Alba, González, M Teresa, Zotti, Linda A, Miguel, Delia, Cuerva, Juan M |
| المساهمون: | Ortuño Ana M, Reiné, Pablo, Álvarez de Cienfuegos Lui, Márquez Irene R, Dednam Wynand, Lombardi Enrico B, Palacios Juan J, Leary Edmund, Longhi Giovanna, Mujica Vladimiro, Millán Alba, González M Teresa, Zotti Linda A, Miguel Delia, Cuerva Juan M |
| سنة النشر: | 2023 |
| المجموعة: | Università degli Studi di Brescia: OPENBS - Open Archive UniBS |
| مصطلحات موضوعية: | Chiroptical Propertie, Helical Potentiometer, Scanning Tunneling Microscope, Spin Filtering, Transport Calculations |
| الوصف: | 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. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | ELETTRONICO |
| اللغة: | English |
| Relation: | info:eu-repo/semantics/altIdentifier/pmid/36806838; info:eu-repo/semantics/altIdentifier/wos/WOS:000943850500001; volume:62; issue:16; firstpage:e202218640; numberofpages:10; journal:ANGEWANDTE CHEMIE. INTERNATIONAL EDITION; https://hdl.handle.net/11379/574246; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85149322798 |
| DOI: | 10.1002/anie.202218640 |
| الاتاحة: | https://hdl.handle.net/11379/574246 https://doi.org/10.1002/anie.202218640 |
| Rights: | info:eu-repo/semantics/openAccess |
| رقم الانضمام: | edsbas.83C46E8A |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/anie.202218640 |
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