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Synthetic Control of Quantum Interference by Regulating Charge on a Single Atom in Heteroaromatic Molecular Junctions

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<mark>Journal publication date</mark>17/10/2019
<mark>Journal</mark>Journal of Physical Chemistry Letters
Issue number20
Volume10
Number of pages6
Pages (from-to)6419-6424
Publication statusPublished
Early online date2/10/19
Original languageEnglish

Abstract

A key area of activity in contemporary molecular electronics is the chemical control of conductance of molecular junctions and devices. Here we study and modify a range of pyrrolodipyridines (carbazole-like) molecular wires. We are able to change the electrical conductance and quantum interference patterns by chemically regulating the bridging nitrogen atom in the tricyclic ring system. A series of eight different N-substituted pyrrolodipyridines has been synthesized and subjected to single-molecule electrical characterization using an STM break junction. Correlations of these experimental data with theoretical calculations underline the importance of the pyrrolic nitrogen in facilitating conductance across the molecular bridge and controlling quantum interference. The large chemical modulation for the meta-connected series is not apparent for the para-series, showing the competition between (i) meta-connectivity quantum interference phenomena and (ii) the ability of the pyrrolic nitrogen to facilitate conductance, that can be modulated by chemical substitution.