Docking Strategy To Construct Thermostable, Single-Crystalline, Hydrogen-Bonded Organic Framework with High Surface...

Area of Science:

• Materials Science
• Supramolecular Chemistry
• Nanotechnology

Background:

• Porous hydrogen-bonded organic frameworks (HOFs) are crucial for applications requiring high surface area and stability.
• Improving thermal and chemical durability while increasing surface area are key challenges in HOF development.

Purpose of the Study:

• To systematically construct thermally and chemically durable HOFs with high surface area.
• To explore the potential of hexaazatriphenylene (HAT) derivatives as building blocks for advanced HOFs.

Main Methods:

• Utilizing a hexaazatriphenylene (HAT) derivative with six carboxyaryl groups as a building block.
• Employing shape-fitted docking and interpenetrated three-dimensional network formation.
• Characterizing the resulting HOF for thermal stability, chemical durability, and surface area.

Main Results:

• A stable, single-crystalline porous HOF was formed using a HAT derivative with carboxybiphenyl groups.
• The HOF exhibited excellent protic solvent durability (even in concentrated HCl) and heat resistance up to 305°C.
• A high Brunauer-Emmett-Teller surface area (SA_(BET)) of 1288 m²/g was achieved.

Conclusions:

• The developed HOF demonstrates significant thermal and chemical robustness, addressing key performance enhancement directions.
• The material's high surface area and stability make it suitable for various functional porous material applications.
• Anisotropic fluorescence observed in single crystals suggests potential for polarized emitters.