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Issue 6, 2021
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Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference

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Abstract

The effects of antiaromaticity and destructive quantum interference (DQI) are investigated on the charge transport through dibenzo-[a,e]pentalene (DBP). 5,10-Connectivity gives high single-molecule conductance whereas 2,7 gives low conductance due to DQI. Comparison of the 5,10-DBP with phenyl and anthracene analogues yields the trend GDBPGAnth > GPh, despite the aromatic anthracene having a larger HOMO–LUMO gap than 5,10-DBP. This is explained by unfavourable level alignment for 5,10-DBP.

Graphical abstract: Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference

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Article information


Submitted
12 Oct 2020
Accepted
06 Dec 2020
First published
07 Dec 2020

Chem. Commun., 2021,57, 745-748
Article type
Communication

Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference

M. Schmidt, D. Wassy, M. Hermann, M. T. González, N. Agräit, L. A. Zotti, B. Esser and E. Leary, Chem. Commun., 2021, 57, 745
DOI: 10.1039/D0CC06810A

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