Constructive Quantum Interference in Single-Molecule Benzodichalcogenophene Junctions.
density functional calculations
perturbation theory
quantum interference
scanning tunneling microscopy
single-molecule conductors
Journal
Chemistry (Weinheim an der Bergstrasse, Germany)
ISSN: 1521-3765
Titre abrégé: Chemistry
Pays: Germany
ID NLM: 9513783
Informations de publication
Date de publication:
21 Apr 2020
21 Apr 2020
Historique:
received:
31
12
2019
pubmed:
6
2
2020
medline:
6
2
2020
entrez:
6
2
2020
Statut:
ppublish
Résumé
Heteroatom substitution into the cores of alternant, aromatic hydrocarbons containing only even-membered rings is attracting increasing interest as a method of tuning their electrical conductance. Here, the effect of heteroatom substitution into molecular cores of non-alternant hydrocarbons, containing odd-membered rings, is examined. Benzodichalcogenophene (BDC) compounds are rigid, planar π-conjugated structures, with molecular cores containing five-membered rings fused to a six-membered aryl ring. To probe the sensitivity or resilience of constructive quantum interference (CQI) in these non-bipartite molecular cores, two C
Identifiants
pubmed: 32022327
doi: 10.1002/chem.201905878
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
5264-5269Subventions
Organisme : National Natural Science Foundation of China
ID : 21503179, 21673195, 21722305,21703188
Organisme : National Basic Research Program of China (973 Program)
ID : 2017YFA0204902
Organisme : Fundamental Research Funds for the Central Universities
ID : 20720170035
Organisme : Engineering and Physical Sciences Research Council
ID : EP/N017188/1, EP/P027156/1 and EP/N03337X/1
Informations de copyright
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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