Finding the formula of an artificial sponge
Researchers from the group of Prof. Jonathan De Roo have developed a simple methodology to determine the minimal formula of metal organic frameworks, by integrating information from organic and inorganic characterization techniques.
Metal Organic Frameworks (MOFs) are called molecular sponges due to the highly porous nature and huge surface area. They are formed by linking metals using multifunctional organic molecules. They are used in the field of catalysis, drug delivery, and gas storage.
A precise knowledge of their molecular composition is necessary to develop structure-property relationships. Researchers from the group of Prof. Jonathan De Roo (in collaboration with Prof. Tatjana N. Parac-Vogt at K U Leuven) have found that the real MOF structures deviate considerably from the idealized formula of MOFs. They developed a convenient and easy approach to determining the minimal formula of MOFs using Nuclear Magnetic Resonance (NMR) spectroscopy as the main technique. The method is complemented by thermogravimetric analysis (TGA) and UV-Vis spectroscopy. After considering all the chemical boundary conditions concerning charge balance and coordination number, a precise minimal formula is obtained. The methodology was generalized to a large number of MOFs: MOF-808(Zr), UiO-66(Zr), UiO-66(Ce), MOF-5(Zn), MIL-125(Ti), and MIL-100(Fe).
Orginal Publication:
Jikson Pulparayil Mathew, Charlotte Simms, David E. Salazar Marcano, Evert Dhaene, Tatjana N. Parac-Vogt, Jonathan De Roo.
Determination of the Experimental Minimal Formula of Metal-Organic Frameworks
Adv. Science 2025, DOI: https://doi.org/10.1002/advs.202504713