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Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl

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

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Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl. / Herrer, I.L.; Ismael, A.K.; Milán, D.C. et al.
In: Journal of Physical Chemistry Letters, Vol. 9, No. 18, 20.09.2018, p. 5364-5372.

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

Harvard

Herrer, IL, Ismael, AK, Milán, DC, Vezzoli, A, Martín, S, González-Orive, A, Grace, I, Lambert, C, Serrano, JL, Nichols, RJ & Cea, P 2018, 'Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl', Journal of Physical Chemistry Letters, vol. 9, no. 18, pp. 5364-5372. https://doi.org/10.1021/acs.jpclett.8b02051

APA

Herrer, I. L., Ismael, A. K., Milán, D. C., Vezzoli, A., Martín, S., González-Orive, A., Grace, I., Lambert, C., Serrano, J. L., Nichols, R. J., & Cea, P. (2018). Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl. Journal of Physical Chemistry Letters, 9(18), 5364-5372. https://doi.org/10.1021/acs.jpclett.8b02051

Vancouver

Herrer IL, Ismael AK, Milán DC, Vezzoli A, Martín S, González-Orive A et al. Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl. Journal of Physical Chemistry Letters. 2018 Sept 20;9(18):5364-5372. Epub 2018 Aug 30. doi: 10.1021/acs.jpclett.8b02051

Author

Herrer, I.L. ; Ismael, A.K. ; Milán, D.C. et al. / Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl. In: Journal of Physical Chemistry Letters. 2018 ; Vol. 9, No. 18. pp. 5364-5372.

Bibtex

@article{8a014046b05147deab111240839d9b20,
title = "Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl",
abstract = "Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behavior of 1,4-bis(1H-pyrazol-4-ylethynyl)benzene that exhibits unconventional junction current versus junction-stretching distance curves, which are peak-shaped and feature two conducting states of 2.3 × 10-4 G0 and 3.4 × 10-4 G0. A combination of theory and experiments is used to understand the conductance of single-molecule junctions featuring this new anchoring group, i.e., pyrazolyl. These results demonstrate that the pyrazolyl moiety changes its protonation state and contact binding during junction evolution and that it also binds in either end-on or facial geometries with gold contacts. The pyrazolyl moiety holds general interest as a contacting group, because this linkage leads to a strong double anchoring of the molecule to the gold electrode, resulting in enhanced conductance values. Copyright {\textcopyright} 2018 American Chemical Society.",
keywords = "Gold, Conductance values, Electrical conductance, Molecular junction, Protonation state, Single molecule conductance, Single-molecule junctions, Unconventional junctions, Unusual behaviors, Molecules",
author = "I.L. Herrer and A.K. Ismael and D.C. Mil{\'a}n and A. Vezzoli and S. Mart{\'i}n and A. Gonz{\'a}lez-Orive and I. Grace and C. Lambert and J.L. Serrano and R.J. Nichols and P. Cea",
year = "2018",
month = sep,
day = "20",
doi = "10.1021/acs.jpclett.8b02051",
language = "English",
volume = "9",
pages = "5364--5372",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "18",

}

RIS

TY - JOUR

T1 - Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl

AU - Herrer, I.L.

AU - Ismael, A.K.

AU - Milán, D.C.

AU - Vezzoli, A.

AU - Martín, S.

AU - González-Orive, A.

AU - Grace, I.

AU - Lambert, C.

AU - Serrano, J.L.

AU - Nichols, R.J.

AU - Cea, P.

PY - 2018/9/20

Y1 - 2018/9/20

N2 - Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behavior of 1,4-bis(1H-pyrazol-4-ylethynyl)benzene that exhibits unconventional junction current versus junction-stretching distance curves, which are peak-shaped and feature two conducting states of 2.3 × 10-4 G0 and 3.4 × 10-4 G0. A combination of theory and experiments is used to understand the conductance of single-molecule junctions featuring this new anchoring group, i.e., pyrazolyl. These results demonstrate that the pyrazolyl moiety changes its protonation state and contact binding during junction evolution and that it also binds in either end-on or facial geometries with gold contacts. The pyrazolyl moiety holds general interest as a contacting group, because this linkage leads to a strong double anchoring of the molecule to the gold electrode, resulting in enhanced conductance values. Copyright © 2018 American Chemical Society.

AB - Electrical conductance across a molecular junction is strongly determined by the anchoring group of the molecule. Here we highlight the unusual behavior of 1,4-bis(1H-pyrazol-4-ylethynyl)benzene that exhibits unconventional junction current versus junction-stretching distance curves, which are peak-shaped and feature two conducting states of 2.3 × 10-4 G0 and 3.4 × 10-4 G0. A combination of theory and experiments is used to understand the conductance of single-molecule junctions featuring this new anchoring group, i.e., pyrazolyl. These results demonstrate that the pyrazolyl moiety changes its protonation state and contact binding during junction evolution and that it also binds in either end-on or facial geometries with gold contacts. The pyrazolyl moiety holds general interest as a contacting group, because this linkage leads to a strong double anchoring of the molecule to the gold electrode, resulting in enhanced conductance values. Copyright © 2018 American Chemical Society.

KW - Gold

KW - Conductance values

KW - Electrical conductance

KW - Molecular junction

KW - Protonation state

KW - Single molecule conductance

KW - Single-molecule junctions

KW - Unconventional junctions

KW - Unusual behaviors

KW - Molecules

U2 - 10.1021/acs.jpclett.8b02051

DO - 10.1021/acs.jpclett.8b02051

M3 - Journal article

VL - 9

SP - 5364

EP - 5372

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 18

ER -