Highly-conducting molecular circuits based on antiaromaticity

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Highly-conducting molecular circuits based on antiaromaticity

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Highly-conducting molecular circuits based on antiaromaticity

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

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

Projekt

<a href="/cs/project/GA15-19672S" target="_blank" >GA15-19672S: Síly a vodivost v molekulárních kontaktech</a><br>

Návaznosti

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

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Nature Communications

ISSN

2041-1723

e-ISSN

—

Svazek periodika

8

Číslo periodika v rámci svazku

Jul

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

—

Kód UT WoS článku

000405816100001

EID výsledku v databázi Scopus

2-s2.0-85025145356