Paracetamol Inclusion in Mechanically Interlocked Nanocages

Area of Science:

• Supramolecular Chemistry
• Materials Science
• Crystallography

Background:

• Solid-state synthesis of poly-[n]-catenanes from mechanically interlocked metal-organic cages (MOCs) is underexplored.
• Lack of suitable crystals hinders structural analysis and material development.

Purpose of the Study:

• To report the inclusion of paracetamol in MOCs synthesized via mechanochemistry under kinetic control.
• To determine the structure of MOCs containing guest molecules.
• To explore the potential of MOCs as nanoreactors.

Main Methods:

• Solid-state synthesis using mechanochemistry.
• Powder X-ray diffraction (XRD) combined with Density Functional Theory (DFT) calculations for structure determination.
• Thermal analysis and NMR spectroscopy for guest molecule confirmation.
• Instant synthesis method for rapid MOC formation.

Main Results:

• Successfully synthesized amorphous M₁₂L₈ poly-[n]-catenanes encapsulating paracetamol.
• Determined the structure of MOCs containing six paracetamol guests per cage.
• Achieved rapid MOC synthesis with high paracetamol loading (~7 molecules per nanocage) and selectivity.
• Demonstrated benzaldehyde inclusion, indicating MOCs' potential as nanoreactors.

Conclusions:

• Developed a method for solid-state synthesis and structural determination of MOC polycatenanes.
• M₁₂L₈ cages effectively encapsulate guest molecules like paracetamol and benzaldehyde.
• The MOCs show promise as solid-state nanoreactors for chemical reactions.