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Exploring the impact of select anchor groups for norbornadiene/quadricyclane single-molecule switches
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- Ghasemi, Shima, 1993 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Ornago, Luca (author)
- Technische Universiteit Delft,Delft University of Technology (TU Delft)
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- Liasi, Zacharias (author)
- Köpenhamns universitet,University of Copenhagen
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- Moth-Poulsen, Kasper, 1978 (author)
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- (creator_code:org_t)
- 2023
- 2023
- English.
- In: Journal of Materials Chemistry C. - 2050-7534 .- 2050-7526. ; 11:44, s. 15379-15776
- Journal article (peer-reviewed)
Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
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- art (subject category)
- ref (subject category)
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