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Potentiometric acid–base titration is introduced as a method to evaluate pKa values (Bronsted acidity) of protons present in the nodes of water stable Zr6- and Hf6-based metal–organic frameworks (MOFs), including UiO-type MOFs, NU-1000, and MOF-808. pKa values were determined for the three typical types of protons present in these MOFs: μ3-OH, M–OH2, and M–OH (M = Zr, Hf). Additionally, the data was used to quantify defect sites resulting from either a surfeit or shortage of linkers in the MOFs and to provide information about the true proton topology of each material.

Evaluation of Brønsted acidity and proton topology in Zr- and Hf-based metal–organic frameworks using potentiometric acid–base titration