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Visualizing the orientational dependence of an intermolecular potential

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Visualizing the orientational dependence of an intermolecular potential. / Sweetman, Adam; Rashid, Mohammad A.; Jarvis, Samuel P. et al.
In: Nature Communications, Vol. 7, 10621, 16.02.2016.

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

Harvard

Sweetman, A, Rashid, MA, Jarvis, SP, Dunn, JL, Rahe, P & Moriarty, P 2016, 'Visualizing the orientational dependence of an intermolecular potential', Nature Communications, vol. 7, 10621. https://doi.org/10.1038/ncomms10621

APA

Sweetman, A., Rashid, M. A., Jarvis, S. P., Dunn, J. L., Rahe, P., & Moriarty, P. (2016). Visualizing the orientational dependence of an intermolecular potential. Nature Communications, 7, Article 10621. https://doi.org/10.1038/ncomms10621

Vancouver

Sweetman A, Rashid MA, Jarvis SP, Dunn JL, Rahe P, Moriarty P. Visualizing the orientational dependence of an intermolecular potential. Nature Communications. 2016 Feb 16;7:10621. doi: 10.1038/ncomms10621

Author

Sweetman, Adam ; Rashid, Mohammad A. ; Jarvis, Samuel P. et al. / Visualizing the orientational dependence of an intermolecular potential. In: Nature Communications. 2016 ; Vol. 7.

Bibtex

@article{5080298d2c214d03a5b9fffd8eff0c26,
title = "Visualizing the orientational dependence of an intermolecular potential",
abstract = "Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-dimensional potential between fullerene (C-60) molecules in different relative orientations, with sub-Angstrom resolution, using dynamic force microscopy (DFM). We introduce a visualization method which is capable of directly imaging the variation in equilibrium binding energy of different molecular orientations. We model the interaction using both a simple approach based around analytical Lennard-Jones potentials, and with dispersion-force-corrected density functional theory (DFT), and show that the positional variation in the binding energy between the molecules is dominated by the onset of repulsive interactions. Our modelling suggests that variations in the dispersion interaction are masked by repulsive interactions even at displacements significantly larger than the equilibrium intermolecular separation.",
keywords = "ATOMIC-FORCE MICROSCOPY, SPECTROSCOPY",
author = "Adam Sweetman and Rashid, {Mohammad A.} and Jarvis, {Samuel P.} and Dunn, {Janette L.} and Philipp Rahe and Philip Moriarty",
year = "2016",
month = feb,
day = "16",
doi = "10.1038/ncomms10621",
language = "English",
volume = "7",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "Nature Publishing Group",

}

RIS

TY - JOUR

T1 - Visualizing the orientational dependence of an intermolecular potential

AU - Sweetman, Adam

AU - Rashid, Mohammad A.

AU - Jarvis, Samuel P.

AU - Dunn, Janette L.

AU - Rahe, Philipp

AU - Moriarty, Philip

PY - 2016/2/16

Y1 - 2016/2/16

N2 - Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-dimensional potential between fullerene (C-60) molecules in different relative orientations, with sub-Angstrom resolution, using dynamic force microscopy (DFM). We introduce a visualization method which is capable of directly imaging the variation in equilibrium binding energy of different molecular orientations. We model the interaction using both a simple approach based around analytical Lennard-Jones potentials, and with dispersion-force-corrected density functional theory (DFT), and show that the positional variation in the binding energy between the molecules is dominated by the onset of repulsive interactions. Our modelling suggests that variations in the dispersion interaction are masked by repulsive interactions even at displacements significantly larger than the equilibrium intermolecular separation.

AB - Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-dimensional potential between fullerene (C-60) molecules in different relative orientations, with sub-Angstrom resolution, using dynamic force microscopy (DFM). We introduce a visualization method which is capable of directly imaging the variation in equilibrium binding energy of different molecular orientations. We model the interaction using both a simple approach based around analytical Lennard-Jones potentials, and with dispersion-force-corrected density functional theory (DFT), and show that the positional variation in the binding energy between the molecules is dominated by the onset of repulsive interactions. Our modelling suggests that variations in the dispersion interaction are masked by repulsive interactions even at displacements significantly larger than the equilibrium intermolecular separation.

KW - ATOMIC-FORCE MICROSCOPY

KW - SPECTROSCOPY

U2 - 10.1038/ncomms10621

DO - 10.1038/ncomms10621

M3 - Journal article

VL - 7

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

M1 - 10621

ER -