Unusual Length Dependence of the Conductance in Cumulene Molecular Wires
Entity
UAM. Departamento de Física de la Materia CondensadaPublisher
Wiley - V C H Verlag GmbH & Co. KGaADate
2019-06-17Citation
10.1002/anie.201901228
Angewandte Chemie - International Edition 2019.58 (2019): 8378 –8382
ISSN
1433-7851 (print); 1521-3773 (online)DOI
10.1002/anie.201901228Funded by
We thank the EPSRC (grants EP/M016110/1, EP/M014452/1, EP/M014169/1, and EP/M029522/1) and the ERC (grant 320969) for support, and the EPSRC UK National Mass Spectrometry Facility at Swansea University for MALDI spectra. H.S. and S.S. acknowledge the Leverhulme Trust for Leverhulme Early Career Fellowships no. ECF‐2017‐186 and ECF‐2018‐375. H.S. acknowledges the UKRI Future Leaders Fellowship no. MR/S015329/1. IMDEA Nanociencia acknowledges support from the “Severo Ochoa” Programme for Centres of Excellence in R&D (MINECO, Grant SEV‐2016‐0686). N.A. and C.J.L. acknowledge EC H2020 FET Open project 767187 “QuIET”. N.A. and G.R.‐B. were funded by Spanish MINECO (grants MAT2014‐57915‐R, MAT2017‐88693‐R, and MDM‐2014‐0377) and Comunidad de Madrid (grant NANOFRONTMAG‐CM, S2013/MIT‐2850)Project
Gobierno de España. SEV‐2016‐0686; info:eu-repo/grantAgreement/EC/H2020/767187/EU//QuIET; Gobierno de España. MAT2014‐57915‐R; Gobierno de España. MAT2017‐88693‐R; Gobierno de España. MDM‐2014‐0377; Comunidad de Madrid. S2013/MIT‐2850Editor's Version
https://doi.org/10.1002/anie.201901228Subjects
Break junctions; Conductance; Cumulenes; Molecular wires; Single-molecule studies; FísicaRights
© 2019 Die AutorenAbstract
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
Files in this item
Google Scholar:Xu, Wenjun
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Leary, Edmund
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Hou, Songjun
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Sangtarash, Sara
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González, M. Teresa
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Rubio Bollinger, Gabino
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Wu, Qingqing
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Sadeghi, Hatef
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Tejerina, Lara
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Christensen, Kirsten E.
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Agrait de la Puente, Mario Nicolás
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Higgins, Simon J.
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Lambert, Colin J.
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Nichols, Richard J.
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Anderson, Harry L.
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