Dataset for anthraquinone switch

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F26%3A00647175" target="_blank" >RIV/61388955:_____/26:00647175 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Dataset for anthraquinone switch
Original language description
This dataset describes data for study of the electronic properties of molecules for molecular electronics. In this work, we explored two types of single molecule devices differing in anchoring to the conducting leads. Single molecule conductance was measured by STM break junction method and the molecular conductor was composed of the redox active anthraquinone center containing either 4-pyridyl or p-phenylene thioacetate anchoring groups. The experimental results were supported by quantum chemical charge transport calculations. Molecular junctions containing 4-pyridyl anchors displayed two stable configurations with conductance values of 4.9 nS and 20 pS, respectively. Molecules anchored via p-phenylene thioacetate groups led to one main junction configuration with conductance of 0.1 nS. Junctions employing 4-pyridyl anchoring groups had higher junction formation probability, which in combination with lower conductance makes them better candidates for switching purposes.
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2026
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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