A Magic Ratio Rule for Beginners:A Chemist's Guide to Quantum Interference in Molecules

Lambert, Colin J. and Liu, Shi Xia (2018) A Magic Ratio Rule for Beginners:A Chemist's Guide to Quantum Interference in Molecules. Chemistry - A European Journal, 24 (17). pp. 4193-4201. ISSN 0947-6539

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This Concept article will give a glimpse into chemical design principles for exploiting quantum interference (QI) effects in molecular-scale devices. Direct observation of room temperature QI in single-molecule junctions has stimulated growing interest in fabrication of tailor-made molecular electronic devices. Herein, we outline a new conceptual advance in the scientific understanding and technological know-how necessary to control QI effects in single molecules by chemical modification. We start by discussing QI from a chemical viewpoint and then describe a new magic ratio rule (MRR), which captures a minimal description of connectivity-driven charge transport and provides a useful starting point for chemists to design appropriate molecules for molecular electronics with desired functions. The MRR predicts conductance ratios, which are solely determined by QI within the core of polycyclic aromatic hydrocarbons (PAHs). The manifestations of QI and related quantum circuit rules for materials discovery are direct consequences of the key concepts of weak coupling, locality, connectivity, mid-gap transport and phase coherence in single-molecule junctions.

Item Type:
Journal Article
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Chemistry - A European Journal
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This is the peer reviewed version of the following article: C. J. Lambert, S.-X. Liu, Chem. Eur. J. 2018, 24, 4193 which has been published in final form at https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201704488 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
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15 Jan 2020 11:50
Last Modified:
18 Sep 2023 01:40