In situ FTIR spectroscopy in combination with results from DFT calculations was used to determine the composition of mixed-metal clusters {CeZr(μ-O)(μ-OH)} in Ce/Zr-UiO-66 compounds. Detailed, quantitative evaluation of vibrational bands ν(OH) of (μ-OH)CeZr groups allowed us to distinguish between two possible models: a solid solution or the presence of distinct clusters. This relatively straightfoward method should be also transferable to other mixed-metal metal-organic frameworks (MOFs).
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