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Measuring the mechanical properties of molecular conformers

Jarvis, Samuel Paul; Taylor, Simon; Baran, J.D.; Champness, Neil R.; Larsson, J.A.; Moriarty, Philip


Samuel Paul Jarvis

Simon Taylor

J.D. Baran

Neil R. Champness

J.A. Larsson


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.


Jarvis, S. P., Taylor, S., Baran, J., Champness, N. R., Larsson, J., & Moriarty, P. (2015). Measuring the mechanical properties of molecular conformers. Nature Communications, 6(8338),

Journal Article Type Article
Publication Date Sep 21, 2015
Deposit Date Feb 16, 2016
Publicly Available Date Feb 16, 2016
Journal Nature Communications
Electronic ISSN 2041-1723
Publisher Nature Publishing Group
Peer Reviewed Peer Reviewed
Volume 6
Issue 8338
Public URL
Publisher URL


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