Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements

Abstract Is there a correlation between the (hetero)aromaticity of the core of a molecule and its conductance in a single molecular junction? To address this question, which is of fundamental interest in molecular electronics, oligo(arylene-ethynylene) (OAE) molecular wires have been synthesized wit...

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Autores principales:	Markus Gantenbein, Lin Wang, Alaa A. Al-jobory, Ali K. Ismael, Colin J. Lambert, Wenjing Hong, Martin R. Bryce
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/4a4d5c64b8f74ec3a74ca3ddad57f5e4
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spelling	oai:doaj.org-article:4a4d5c64b8f74ec3a74ca3ddad57f5e42021-12-02T11:40:59ZQuantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements10.1038/s41598-017-01903-02045-2322https://doaj.org/article/4a4d5c64b8f74ec3a74ca3ddad57f5e42017-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01903-0https://doaj.org/toc/2045-2322Abstract Is there a correlation between the (hetero)aromaticity of the core of a molecule and its conductance in a single molecular junction? To address this question, which is of fundamental interest in molecular electronics, oligo(arylene-ethynylene) (OAE) molecular wires have been synthesized with core units comprising dibenzothiophene, carbazole, dibenzofuran and fluorene. The biphenyl core has been studied for comparison. Two isomeric series have been obtained with 4-ethynylpyridine units linked to the core either at para-para positions (para series 1–5) or meta-meta positions (meta series 6–10). A combined experimental and computational study, using mechanically controlled break junction measurements and density functional theory calculations, demonstrates consistently higher conductance in the para series compared to the meta series: this is in agreement with increased conjugation of the π–system in the para series. Within the para series conductance increases in the order of decreasing heteroaromaticity (dibenzothiophene < carbazole < dibenzofuran). However, the sequence is very different in the meta series, where dibenzothiophene ≈ dibenzofuran < carbazole. Excellent agreement between theoretical and experimental conductance values is obtained. Our study establishes that both quantum interference and heteroaromaticity in the molecular core units play important and inter-related roles in determining the conductance of single molecular junctions.Markus GantenbeinLin WangAlaa A. Al-joboryAli K. IsmaelColin J. LambertWenjing HongMartin R. BryceNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Markus Gantenbein Lin Wang Alaa A. Al-jobory Ali K. Ismael Colin J. Lambert Wenjing Hong Martin R. Bryce Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
description	Abstract Is there a correlation between the (hetero)aromaticity of the core of a molecule and its conductance in a single molecular junction? To address this question, which is of fundamental interest in molecular electronics, oligo(arylene-ethynylene) (OAE) molecular wires have been synthesized with core units comprising dibenzothiophene, carbazole, dibenzofuran and fluorene. The biphenyl core has been studied for comparison. Two isomeric series have been obtained with 4-ethynylpyridine units linked to the core either at para-para positions (para series 1–5) or meta-meta positions (meta series 6–10). A combined experimental and computational study, using mechanically controlled break junction measurements and density functional theory calculations, demonstrates consistently higher conductance in the para series compared to the meta series: this is in agreement with increased conjugation of the π–system in the para series. Within the para series conductance increases in the order of decreasing heteroaromaticity (dibenzothiophene < carbazole < dibenzofuran). However, the sequence is very different in the meta series, where dibenzothiophene ≈ dibenzofuran < carbazole. Excellent agreement between theoretical and experimental conductance values is obtained. Our study establishes that both quantum interference and heteroaromaticity in the molecular core units play important and inter-related roles in determining the conductance of single molecular junctions.
format	article
author	Markus Gantenbein Lin Wang Alaa A. Al-jobory Ali K. Ismael Colin J. Lambert Wenjing Hong Martin R. Bryce
author_facet	Markus Gantenbein Lin Wang Alaa A. Al-jobory Ali K. Ismael Colin J. Lambert Wenjing Hong Martin R. Bryce
author_sort	Markus Gantenbein
title	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
title_short	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
title_full	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
title_fullStr	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
title_full_unstemmed	Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
title_sort	quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/4a4d5c64b8f74ec3a74ca3ddad57f5e4
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Quantum interference and heteroaromaticity of para- and meta-linked bridged biphenyl units in single molecular conductance measurements

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