# Chemical Activation of a Single Melamine Molecule via Isomerization Followed by Metalation with a Copper Atom

## TL;DR

This study demonstrates how a single melamine molecule can be chemically activated and reacted with a copper atom using scanning probe techniques.

## Contribution

The paper introduces a method to activate and metalate a single molecule while measuring the forces and energies involved.

## Key findings

- Melamine adsorbed on Cu(100) can be activated via tautomerization and metalation with a single Cu atom.
- Atomic force microscopy identifies the reactive site and transfers a Cu atom to it.
- The forces and energies involved in the metalation process are quantified experimentally and supported by DFT calculations.

## Abstract

Scanning probe methods have very successfully been used
for inducing
on-surface reactions and imaging with high resolution the reaction
partners at the single-molecule level. However, the entire sequence
of chemically activating an educt, identifying its reactive site,
running a chemical reaction, and quantifying the involved forces and
energies has been missing to date. Here, the organic molecule melamine
adsorbed on Cu(100) serves as a single-molecule model system for activation
via tautomerization and subsequent metalation with a single Cu atom.
An atomic force microscope with a CO-decorated tip probes the most
reactive intramolecular site of the tautomer, while a Cu-terminated
tip transfers a single Cu atom to this site. Following the interaction
between the mutually approached reaction partners up to the verge
of chemical-bond formation enables access to the force and energy
involved in the single-molecule metalation process. Total-energy calculations
from density functional theory support the experimental findings and
illustrate the structure of the reactants.