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Unusual Length Dependence of the Conductance in Cumulene Molecular Wires

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Unusual Length Dependence of the Conductance in Cumulene Molecular Wires. / Xu, W.; Leary, E.; Hou, S. et al.
In: Angewandte Chemie International Edition, Vol. 58, No. 25, 17.06.2019, p. 8378-8382.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Xu, W, Leary, E, Hou, S, Sangtarash, S, González, MT, Rubio-Bollinger, G, Wu, Q, Sadeghi, H, Tejerina, L, Christensen, KE, Agraït, N, Higgins, SJ, Lambert, CJ, Nichols, RJ & Anderson, HL 2019, 'Unusual Length Dependence of the Conductance in Cumulene Molecular Wires', Angewandte Chemie International Edition, vol. 58, no. 25, pp. 8378-8382. https://doi.org/10.1002/anie.201901228

APA

Xu, W., Leary, E., Hou, S., Sangtarash, S., González, M. T., Rubio-Bollinger, G., Wu, Q., Sadeghi, H., Tejerina, L., Christensen, K. E., Agraït, N., Higgins, S. J., Lambert, C. J., Nichols, R. J., & Anderson, H. L. (2019). Unusual Length Dependence of the Conductance in Cumulene Molecular Wires. Angewandte Chemie International Edition, 58(25), 8378-8382. https://doi.org/10.1002/anie.201901228

Vancouver

Xu W, Leary E, Hou S, Sangtarash S, González MT, Rubio-Bollinger G et al. Unusual Length Dependence of the Conductance in Cumulene Molecular Wires. Angewandte Chemie International Edition. 2019 Jun 17;58(25):8378-8382. Epub 2019 May 17. doi: 10.1002/anie.201901228

Author

Xu, W. ; Leary, E. ; Hou, S. et al. / Unusual Length Dependence of the Conductance in Cumulene Molecular Wires. In: Angewandte Chemie International Edition. 2019 ; Vol. 58, No. 25. pp. 8378-8382.

Bibtex

@article{e0d77de7bd6040dc81a26b22a0a8a73d,
title = "Unusual Length Dependence of the Conductance in Cumulene Molecular Wires",
abstract = "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.",
keywords = "break junctions, conductance, cumulenes, molecular wires, single-molecule studies, Electric conductance, Molecules, Nanowires, Break junctions, Computational simulation, Cumulenes, Length dependence, Molecular conductance, Molecular wires, Single molecule conductance, Single-molecule studies, Hydrocarbons",
author = "W. Xu and E. Leary and S. Hou and S. Sangtarash and M.T. Gonz{\'a}lez and G. Rubio-Bollinger and Q. Wu and H. Sadeghi and L. Tejerina and K.E. Christensen and N. Agra{\"i}t and S.J. Higgins and C.J. Lambert and R.J. Nichols and H.L. Anderson",
year = "2019",
month = jun,
day = "17",
doi = "10.1002/anie.201901228",
language = "English",
volume = "58",
pages = "8378--8382",
journal = "Angewandte Chemie International Edition",
issn = "1433-7851",
publisher = "Wiley-VCH Verlag",
number = "25",

}

RIS

TY - JOUR

T1 - Unusual Length Dependence of the Conductance in Cumulene Molecular Wires

AU - Xu, W.

AU - Leary, E.

AU - Hou, S.

AU - Sangtarash, S.

AU - González, M.T.

AU - Rubio-Bollinger, G.

AU - Wu, Q.

AU - Sadeghi, H.

AU - Tejerina, L.

AU - Christensen, K.E.

AU - Agraït, N.

AU - Higgins, S.J.

AU - Lambert, C.J.

AU - Nichols, R.J.

AU - Anderson, H.L.

PY - 2019/6/17

Y1 - 2019/6/17

N2 - 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.

AB - 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.

KW - break junctions

KW - conductance

KW - cumulenes

KW - molecular wires

KW - single-molecule studies

KW - Electric conductance

KW - Molecules

KW - Nanowires

KW - Break junctions

KW - Computational simulation

KW - Cumulenes

KW - Length dependence

KW - Molecular conductance

KW - Molecular wires

KW - Single molecule conductance

KW - Single-molecule studies

KW - Hydrocarbons

U2 - 10.1002/anie.201901228

DO - 10.1002/anie.201901228

M3 - Journal article

VL - 58

SP - 8378

EP - 8382

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

SN - 1433-7851

IS - 25

ER -