Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes

Area of Science:

• Supramolecular chemistry
• Materials science
• Nanotechnology

Background:

• Molecular rotors are crucial components for developing dynamic molecular systems.
• Controlling the arrangement and motion of molecular rotors is key to their functional applications.

Purpose of the Study:

• To assemble a supramolecular complex functioning as a molecular rotor.
• To anchor this rotor onto a matrix, forming a regular two-dimensional array.
• To investigate the rotational dynamics of the macrocyclic units within the array.

Main Methods:

• Assembly of a supramolecular complex using cucurbituril and a molecular anchor.
• Anchoring the molecular rotor to a hexagonal tris(o-phenylenedioxy)cyclotriphosphazene matrix.
• Utilizing semi-empirical calculations to determine rotational barriers.

Main Results:

• A stable supramolecular complex acting as a molecular rotor was successfully synthesized.
• A regular two-dimensional array of molecular rotors was formed on the matrix surface.
• Semi-empirical calculations indicated very low rotational barriers for the macrocyclic units.

Conclusions:

• The assembled molecular rotor exhibits facile rotational motion, suitable for dynamic molecular systems.
• The regular 2D arrangement facilitates predictable and efficient molecular motion.
• This work lays the foundation for advanced functional materials based on ordered molecular rotors.