ArticleACS physical chemistry Au2022
Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules.
Article in ACS physical chemistry Au, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Quantum Interference in a Molecular Analog of the Crystalline Silicon Unit Cell.Journal of the American Chemical Society · 2025Article
- Single-Molecule Conductance of Staffanes.Angewandte Chemie (International ed. in English) · 2025Article
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Authors and funding
4 authors.
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Abstract
The single-molecule conductance of saturated molecules can potentially be fully suppressed by destructive quantum interference in their σ-system. However, only few molecules with σ-interference have been identified, and the structure-property relationship remains to be elucidated. Here, we explore the role of substituents in modulating the electronic transmission of saturated molecules. In functionalized bicyclo[2.2.2]octanes, the transmission is suppressed by σ-interference when fluorine substituents are applied. For bicyclo[2.2.2]octasilane and -octagermanes, the transmission is suppressed when carbon-based substituents are used, and such molecules are likely to be highly insulating. For the carbon-based substituents, we find a strong correlation between the appropriate Hammett constants and the transmission. The substituent effect enables systematic optimization of the insulating properties of saturated molecular cores.
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