Extraction of Chemical Reactivity and Structural Relaxations of an Organic Dye from the Short-Range Interaction with a Molecular Probe

Extraction of Chemical Reactivity and Structural Relaxations of an Organic Dye from the Short-Range Interaction with a Molecular Probe

A CO-functionalized atomic force microscope tip is used to locally probe local chemical reactivity and subtle structural relaxations of a single phthalocyanine molecule at different stages of pyrrolic-H abstraction. Spatially resolved vertical force spectroscopy unveils a variation of the maximum sh...

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Bibliographic Details
Published in:The journal of physical chemistry letters Vol. 13; no. 37; pp. 8660 - 8665
Main Authors: Rothe, Karl, Néel, Nicolas, Bocquet, Marie-Laure, Kröger, Jörg
Format: Journal Article
Language:English
Published: American Chemical Society 22-09-2022
Subjects:
Chemical Sciences
or physical chemistry
Physical Insights into Materials and Molecular Properties
Theoretical and
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Summary:A CO-functionalized atomic force microscope tip is used to locally probe local chemical reactivity and subtle structural relaxations of a single phthalocyanine molecule at different stages of pyrrolic-H abstraction. Spatially resolved vertical force spectroscopy unveils a variation of the maximum short-range attraction between CO and intramolecular sites, which is interpreted as a measure for the local chemical reactivity. In addition, the vertical position of the point of maximum attraction is observed to vary across the molecules. These changes follow the calculated adsorption heights of the probed molecular atoms.
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ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.2c02140