Exploring the impact of select anchor groups for norbornadiene/quadricyclane single-molecule switches
Artikel i vetenskaplig tidskrift, 2023

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.

Författare

Shima Ghasemi

Chalmers, Kemi och kemiteknik, Kemi och biokemi

Luca Ornago

TU Delft

Zacharias Liasi

Köpenhamns universitet

Magnus Bukhave Johansen

Köpenhamns universitet

Theo Juncker von Buchwald

Köpenhamns universitet

Andreas Erbs Hillers-Bendtsen

Köpenhamns universitet

Sebastiaan van der Poel

TU Delft

Helen Hölzel

Universitat Politecnica de Catalunya

Zhihang Wang

University of Cambridge

Francoise Mystere Amombo Noa

Chalmers, Kemi och kemiteknik, Kemi och biokemi

Lars Öhrström

Chalmers, Kemi och kemiteknik, Kemi och biokemi

Kurt V. Mikkelsen

Köpenhamns universitet

Herre S. J. van der Zant

TU Delft

Samuel Lara Avila

Chalmers, Mikroteknologi och nanovetenskap, Kvantkomponentfysik

Kasper Moth-Poulsen

Chalmers tekniska högskola

Journal of Materials Chemistry C

20507526 (ISSN) 20507534 (eISSN)

Vol. 11 44 15379-15776

Ämneskategorier

Kemi

DOI

10.1039/d3tc02652c

Mer information

Senast uppdaterat

2023-12-01