Macrocycle-Based Charge-Transfer Cocrystals: From Host-Guest Recognition to Multifunctional Solid-State Materials

Area of Science:

• Supramolecular Chemistry
• Materials Science
• Solid-State Chemistry

Background:

• Macrocycle-based charge-transfer (CT) cocrystals are adaptive supramolecular solids.
• They integrate host-guest chemistry with donor-acceptor interactions.
• These systems enable simultaneous control over molecular packing and electronic properties.

Purpose of the Study:

• To review the fundamental principles of designing and constructing macrocycle-based CT cocrystals.
• To highlight the role of adaptive host-guest recognition in governing CT interactions and solid-state properties.
• To summarize recent advances and outline future directions in this field.

Main Methods:

• Discussion of host-guest recognition mechanisms.
• Analysis of structure-property relationships in CT cocrystals.
• Systematic review of recent applications and regulatory mechanisms.

Main Results:

• Adaptive host-guest recognition dynamically modulates CT interactions and emergent properties.
• Macrocycle-based CT cocrystals demonstrate potential in vapochromic sensing, molecular separation, and photothermal conversion.
• Competitive and cooperative structural regulation mechanisms are key to material design.

Conclusions:

• Macrocycle-based CT cocrystals represent a promising platform for stimuli-responsive and multifunctional materials.
• Further research is needed for programmable, multicomponent, and application-oriented CT materials.
• Establishing structure-CT behavior-function links is crucial for next-generation adaptive molecular solids.