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Mechanochemistry Induced Using Force Exerted by a Functionalized Microscope Tip.

Yajie Zhang¹, Yongfeng Wang¹, Jing-Tao Lü²

¹Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing, 100871, P.R. China.

Angewandte Chemie (International Ed. in English)

|July 21, 2017

Summary

Atomic-scale mechanochemistry was achieved using a C60-functionalized scanning tunneling microscope tip. This method induced conformational changes in tin phthalocyanine on metal surfaces, demonstrating a new approach to molecular manipulation.

Keywords:

conformation analysis mechanochemistry scanning probe microscopy surface chemistry tin

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Area of Science:

Surface Science
Nanotechnology
Physical Chemistry

Background:

Atomic-scale mechanochemistry offers precise control over molecular transformations.
Tin phthalocyanine (SnPc) exists in different conformers on metal surfaces.
Understanding these conformers is key to designing molecular machines.

Purpose of the Study:

To demonstrate atomic-scale mechanochemistry using a functionalized scanning tunneling microscope (STM) tip.
To investigate the conformational changes of tin phthalocyanine on coinage metal surfaces.
To elucidate the reaction mechanism and energy barriers involved.

Main Methods:

Utilizing a C60-functionalized STM tip to exert controlled force at the atomic scale.
Preparing and studying tin phthalocyanine on Cu(111) and Ag(100) surfaces.
Employing density-functional theory (DFT) calculations to analyze reaction pathways and energetics.

Main Results:

Successfully induced a conformational transition of tin phthalocyanine on Cu(111) and Ag(100) surfaces via mechanical force.
DFT calculations revealed the detailed reaction mechanism and identified significant energy barriers.
The strong interaction between SnPc and Cu(111) and the high energy barrier prevent electrical induction of the reaction.

Conclusions:

Atomic-scale mechanochemistry is a viable method for inducing molecular conformational changes.
The mechanical manipulation of tin phthalocyanine conformers on surfaces is demonstrated.
Electrical methods are insufficient for this specific reaction due to high energy barriers and surface interactions.