Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds...

Area of Science:

• Materials Science
• Chemistry
• Nanotechnology

Background:

• High-throughput (HT) methods accelerate materials discovery and synthesis parameter screening.
• Metal-organic frameworks (MOFs) offer tunable properties for diverse applications.
• Developing efficient synthesis protocols for novel MOFs is crucial.

Purpose of the Study:

• To describe the synthesis of novel phosphonate-based MOFs using an HT reactor system.
• To systematically screen synthesis parameters, including linker-to-metal ratio and pH, for MOF discovery.
• To report the discovery of Al-CAU-60∙xHCl MOFs.

Main Methods:

• Utilized an in-house developed HT reactor system for solvothermal synthesis.
• Employed a six-step protocol: synthesis planning (DOE), dosing, solvothermal synthesis, workup (filtration blocks), characterization (HT powder X-ray diffraction), and data evaluation.
• Investigated the impact of acidity on product formation.

Main Results:

• Successfully synthesized novel phosphonate-based MOFs with the composition [Al2H12-x(PMP)3]Clx∙6H2O (Al-CAU-60∙xHCl, x = 4, 6).
• Identified optimal conditions by screening molar ratios and pH.
• Demonstrated the effectiveness of the HT methodology for MOF discovery.

Conclusions:

• The HT methodology enables rapid discovery of new MOFs.
• Al-CAU-60∙xHCl represents a new class of phosphonate-based MOFs.
• This approach facilitates efficient exploration of synthesis landscapes for materials discovery.