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

Research output: Contribution to journalJournal article

Published
<mark>Journal publication date</mark>20/03/2018
<mark>Journal</mark>Chemistry - A European Journal
Issue number17
Volume24
Number of pages9
Pages (from-to)4193-4201
Publication statusPublished
Early online date4/01/18
Original languageEnglish

Abstract

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.

Bibliographic note

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.