Measuring the mechanical properties of molecular conformers

Jarvis, S. P. and Taylor, S. and Baran, J. D. and Champness, N. R. and Larsson, J. A. and Moriarty, P. (2015) Measuring the mechanical properties of molecular conformers. Nature Communications, 6. ISSN 2041-1723

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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.

Item Type:
Journal Article
Journal or Publication Title:
Nature Communications
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/3100
Subjects:
ID Code:
84510
Deposited By:
Deposited On:
02 Feb 2017 14:40
Refereed?:
Yes
Published?:
Published
Last Modified:
17 Jun 2020 04:27