Solvent Accommodation: Functionalities Can Be Tailored Through Co-Crystallization Based on 1:1 Coronene-F₄TCNQ...

Area of Science:

• Materials Science
• Organic Electronics
• Crystallography

Background:

• Organic donor/acceptor blending systems are crucial for advanced electronic devices like transistors and photovoltaics.
• Precise control over cocrystal stacking is essential for tailoring material properties.

Purpose of the Study:

• To investigate how solvent accommodation influences the structure and electron-transport behavior of coronene-F4TCNQ cocrystals.
• To demonstrate a method for tuning cocrystal stacking and electronic properties.

Main Methods:

• Cocrystallization of coronene-F4TCNQ (1:1) using various solvents.
• Structural analysis of cocrystal packing and intermolecular interactions.
• Evaluation of electron-transport properties in ambient conditions.

Main Results:

• Solvent accommodation was shown to modify the internal mixed packing distances within coronene-F4TCNQ cocrystals.
• Short-contact intermolecular interactions (side-by-side, face-by-face) were depressed by solvent accommodation.
• Electron-transport behavior in coronene-F4TCNQ cocrystals was switched off in an ambient atmosphere due to structural modifications.

Conclusions:

• Solvent accommodation offers a viable strategy to tune the structural arrangement and electronic properties of organic cocrystals.
• Understanding and controlling molecular stacking through solvent effects is key for designing high-performance organic electronic materials.