Exploring the impact of select anchor groups for norbornadiene/quadricyclane single-molecule switches
To achieve the ultimate limit of device miniaturization, it is necessary to have a comprehensive understanding of the structure-property relationship in functional molecular systems used in single-molecule electronics. This study reports the synthesis and characterization of a novel series of norbor...
| Autores: | , , , , , , , , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/341521 |
| Acceso en línea: | http://hdl.handle.net/10261/341521 https://api.elsevier.com/content/abstract/scopus_id/85175265367 |
| Access Level: | acceso abierto |
| Palabra clave: | Charge-transport Conductance Norbornadiene |
| Sumario: | To achieve the ultimate limit of device miniaturization, it is necessary to have a comprehensive understanding of the structure-property relationship in functional molecular systems used in single-molecule electronics. This study reports the synthesis and characterization of a novel series of norbornadiene derivatives capped with thioether and thioester anchor groups. Utilizing the mechanically controllable break junction technique, the impact of these capping groups on conductance across single-molecule junctions is investigated. Among the selection of anchor groups, norbornadiene capped with thioacetate and tert-butyl groups exhibits higher conductance (G ≈ 4 × 10−4 G0) compared to methyl thioether (G ≈ 2 × 10−4 G0). Electronic transmission through the considered set of single-molecule junctions has been simulated. The computational results for electron transport across these junctions align closely with the experimental findings, with the thioacetate- and tert-butyl-substituted systems outperforming the methyl thioether-capped derivative. In terms of junction stability, the methyl thioether-capped system is the most resilient, maintaining consistent conductance even after approximately 10 000 cycles. Meanwhile, the likelihood of observing molecular plateaus in both the thioacetate- and tert-butyl-substituted systems declines over time. These findings substantially advance both the design and understanding of functional molecular systems in the realm of single-molecule electronics, particularly in the context of molecular photoswitches. |
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