Highly-conducting molecular circuits based on antiaromaticity

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F17%3A00476801" target="_blank" >RIV/68378271:_____/17:00476801 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1038/ncomms15984" target="_blank" >http://dx.doi.org/10.1038/ncomms15984</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/ncomms15984" target="_blank" >10.1038/ncomms15984</a>

Result language

angličtina

Original language name

Highly-conducting molecular circuits based on antiaromaticity

Original language description

Aromaticity is a fundamental concept in chemistry. It is described by Huckel's rule that states that a cyclic planar pi-system is aromatic when it shares 4n+2 pi-electrons and antiaromatic when it possesses 4n pi-electrons. Antiaromatic compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure compounds with reduced aromaticity but not antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely antiaromatic compound, showing that antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current-voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the antiaromatic species.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

<a href="/en/project/GA15-19672S" target="_blank" >GA15-19672S: Force and Conductance in Molecular Junctions</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Nature Communications

ISSN

2041-1723

e-ISSN

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Volume of the periodical

8

Issue of the periodical within the volume

Jul

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

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UT code for WoS article

000405816100001

EID of the result in the Scopus database

2-s2.0-85025145356