Substitution pattern controlled quantum interference in [2.2]paracyclophane-based single-molecule junctions
| Autor: | Ksenia Reznikova, Fabian Pauly, Chunwei Hsu, Katawoura Beltako, Herre S. J. van der Zant, Almudena Gallego, Marcel Mayor, Werner M. Schosser |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: | |
| Zdroj: | Journal of the American Chemical Society Journal of the American Chemical Society, 143(34) |
| ISSN: | 0002-7863 |
| Popis: | Quantum interference (QI) of electron waves passing through a single-molecule junction provides a powerful means to influence its electrical properties. Here, we investigate the correlation between substitution pattern, conductance, and mechanosensitivity in [2.2]paracyclophane (PCP)-based molecular wires in a mechanically controlled break junction experiment. The effect of themetaversusparaconnectivity in both the central PCP core and the phenyl ring connecting the terminal anchoring group is studied. We find that themeta-phenyl-anchored PCP yields such low conductance levels that molecular features cannot be resolved; in the case ofpara-phenyl-coupled anchoring, however, large variations in conductance values for modulations of the electrode separation occur for the pseudo-para-coupled PCP core, while this mechanosensitivity is absent for the pseudo-meta-PCP core. The experimental findings are interpreted in terms of QI effects between molecular frontier orbitals by theoretical calculations based on density functional theory and the Landauer formalism. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|