Substitution Pattern Controlled Quantum Interference in [2.2]Paracyclophane-Based Single-Molecule Junctions

Reznikova, Ksenia and Hsu, Chunwei and Schosser, Werner M. and Gallego, Almudena and Beltako, Katawoura and Pauly, Fabian and van der Zant, Herre S. J. and Mayor, Marcel. (2021) Substitution Pattern Controlled Quantum Interference in [2.2]Paracyclophane-Based Single-Molecule Junctions. Journal of the American Chemical Society, 143 (34). pp. 13944-13951.

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Official URL: https://edoc.unibas.ch/85439/

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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 the meta versus para connectivity in both the central PCP core and the phenyl ring connecting the terminal anchoring group is studied. We find that the meta-phenyl-anchored PCP yields such low conductance levels that molecular features cannot be resolved; in the case of para-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.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Molecular Devices and Materials (Mayor)
UniBasel Contributors:Mayor, Marcel and Reznikova, Ksenia and Gallego Gonzalez, Almudena
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:19 Jan 2022 13:47
Deposited On:19 Jan 2022 13:47

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