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Measuring the mechanical properties of molecular conformers

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

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Measuring the mechanical properties of molecular conformers. / Jarvis, S. P.; Taylor, S.; Baran, J. D. et al.

In: Nature Communications, Vol. 6, 8338, 09.2015.

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

Harvard

Jarvis, SP, Taylor, S, Baran, JD, Champness, NR, Larsson, JA & Moriarty, P 2015, 'Measuring the mechanical properties of molecular conformers', Nature Communications, vol. 6, 8338. https://doi.org/10.1038/ncomms9338

APA

Jarvis, S. P., Taylor, S., Baran, J. D., Champness, N. R., Larsson, J. A., & Moriarty, P. (2015). Measuring the mechanical properties of molecular conformers. Nature Communications, 6, [8338]. https://doi.org/10.1038/ncomms9338

Vancouver

Jarvis SP, Taylor S, Baran JD, Champness NR, Larsson JA, Moriarty P. Measuring the mechanical properties of molecular conformers. Nature Communications. 2015 Sep;6:8338. Epub 2015 Sep 21. doi: 10.1038/ncomms9338

Author

Jarvis, S. P. ; Taylor, S. ; Baran, J. D. et al. / Measuring the mechanical properties of molecular conformers. In: Nature Communications. 2015 ; Vol. 6.

Bibtex

@article{c64ec3c67b9547caadf4f609eb1af8d8,
title = "Measuring the mechanical properties of molecular conformers",
abstract = "Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force required to push or pull a single molecule has not been explored. Here we probe the mechanochemical response of two tetra(4-bromophenyl) porphyrin conformers using non-contact atomic force microscopy where we find a large difference between the lateral forces required for manipulation. Remarkably, despite sharing very similar adsorption characteristics, variations in the potential energy surface are capable of prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation of the alternative conformational form. Our results are interpreted in the context of dispersion-corrected density functional theory calculations which reveal significant differences in the diffusion barriers for each conformer. These results demonstrate that conformational variation significantly modifies the mechanical response of even simple porpyhrins, potentially affecting many other flexible molecules.",
keywords = "ATOMIC-FORCE MICROSCOPY, MINIMUM ENERGY PATHS, ELASTIC BAND METHOD, SINGLE MOLECULES, SADDLE-POINTS, MANIPULATION, PORPHYRINS, CONFORMATION, CONDUCTANCE, ADSORPTION",
author = "Jarvis, {S. P.} and S. Taylor and Baran, {J. D.} and Champness, {N. R.} and Larsson, {J. A.} and P. Moriarty",
year = "2015",
month = sep,
doi = "10.1038/ncomms9338",
language = "English",
volume = "6",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "Nature Publishing Group",

}

RIS

TY - JOUR

T1 - Measuring the mechanical properties of molecular conformers

AU - Jarvis, S. P.

AU - Taylor, S.

AU - Baran, J. D.

AU - Champness, N. R.

AU - Larsson, J. A.

AU - Moriarty, P.

PY - 2015/9

Y1 - 2015/9

N2 - Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force required to push or pull a single molecule has not been explored. Here we probe the mechanochemical response of two tetra(4-bromophenyl) porphyrin conformers using non-contact atomic force microscopy where we find a large difference between the lateral forces required for manipulation. Remarkably, despite sharing very similar adsorption characteristics, variations in the potential energy surface are capable of prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation of the alternative conformational form. Our results are interpreted in the context of dispersion-corrected density functional theory calculations which reveal significant differences in the diffusion barriers for each conformer. These results demonstrate that conformational variation significantly modifies the mechanical response of even simple porpyhrins, potentially affecting many other flexible molecules.

AB - Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force required to push or pull a single molecule has not been explored. Here we probe the mechanochemical response of two tetra(4-bromophenyl) porphyrin conformers using non-contact atomic force microscopy where we find a large difference between the lateral forces required for manipulation. Remarkably, despite sharing very similar adsorption characteristics, variations in the potential energy surface are capable of prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation of the alternative conformational form. Our results are interpreted in the context of dispersion-corrected density functional theory calculations which reveal significant differences in the diffusion barriers for each conformer. These results demonstrate that conformational variation significantly modifies the mechanical response of even simple porpyhrins, potentially affecting many other flexible molecules.

KW - ATOMIC-FORCE MICROSCOPY

KW - MINIMUM ENERGY PATHS

KW - ELASTIC BAND METHOD

KW - SINGLE MOLECULES

KW - SADDLE-POINTS

KW - MANIPULATION

KW - PORPHYRINS

KW - CONFORMATION

KW - CONDUCTANCE

KW - ADSORPTION

U2 - 10.1038/ncomms9338

DO - 10.1038/ncomms9338

M3 - Journal article

VL - 6

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

M1 - 8338

ER -