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  • acs.jpcc.1c03290 (1)

    Rights statement: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physics Chemistry C, copyright © 2021 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpcc.1c03290

    Accepted author manuscript, 2.58 MB, PDF document

    Embargo ends: 6/07/22

    Available under license: CC BY-NC: Creative Commons Attribution-NonCommercial 4.0 International License

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Interference Controls Conductance in Phthalocyanine Molecular Junctions

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<mark>Journal publication date</mark>6/07/2021
<mark>Journal</mark>The Journal of Physical Chemistry C
Issue number27
Volume125
Number of pages8
Pages (from-to)15036-15043
Publication StatusPublished
<mark>Original language</mark>English

Abstract

We report an experimental and theoretical study of the single-molecule conductance of two separate families of regioisomeric phthalocyanine derivatives in which the binding groups are connected at opposite or at contiguous positions about the phthalocyanine moiety. We observe that compounds with the longest distance between the anchoring groups yield molecular junctions with a higher conductance compared to those with a shorter distance. We performed both density functional theory (DFT) and tight binding calculations to understand how interference effects explain the experimental results including the role of constructive and destructive quantum interference in five phthalocyanine derivatives.

Bibliographic note

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physics Chemistry C, copyright © 2021 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpcc.1c03290