Unusual Length Dependence of the Conductance in Cumulene Molecular Wires.
break junctions
conductance
cumulenes
molecular wires
single-molecule studies
Journal
Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
Titre abrégé: Angew Chem Int Ed Engl
Pays: Germany
ID NLM: 0370543
Informations de publication
Date de publication:
17 Jun 2019
17 Jun 2019
Historique:
received:
29
01
2019
revised:
22
04
2019
pubmed:
27
4
2019
medline:
27
4
2019
entrez:
27
4
2019
Statut:
ppublish
Résumé
Cumulenes are sometimes described as "metallic" because an infinitely long cumulene would have the band structure of a metal. Herein, we report the single-molecule conductance of a series of cumulenes and cumulene analogues, where the number of consecutive C=C bonds in the core is n=1, 2, 3, and 5. The [n]cumulenes with n=3 and 5 have almost the same conductance, and they are both more conductive than the alkene (n=1). This is remarkable because molecular conductance normally falls exponentially with length. The conductance of the allene (n=2) is much lower, because of its twisted geometry. Computational simulations predict a similar trend to the experimental results and indicate that the low conductance of the allene is a general feature of [n]cumulenes where n is even. The lack of length dependence in the conductance of [3] and [5]cumulenes is attributed to the strong decrease in the HOMO-LUMO gap with increasing length.
Identifiants
pubmed: 31026371
doi: 10.1002/anie.201901228
pmc: PMC6563095
doi:
Types de publication
Journal Article
Langues
eng
Pagination
8378-8382Subventions
Organisme : NCCIH NIH HHS
ID : F05 AT002014
Pays : United States
Organisme : Medical Research Council
ID : MR/S015329/2
Pays : United Kingdom
Organisme : Engineering and Physical Sciences Research Council
ID : EP/M016110/1, EP/M014452/1, EP/M014169/1 and EP/M029522/1
Organisme : European Research Council
ID : 320969
Pays : International
Commentaires et corrections
Type : ErratumIn
Informations de copyright
© 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.
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