Effect of Linker Substituent Nature on Performance of Active Sites in UiO-66: Combined FT-IR and DFT Study.

ABSTRACT: The nature of organic linker substituents plays an important role in gas sorption and separation as well as in catalytic applications of metal-organic frameworks. Zirconium-based UiO-66 is one of the most tunable members of this class of materials. However, the prediction of its properties is still not a fully solved problem. Here, the infrared spectroscopic measurements using highly sensitive CO probe molecules, combined with DFT calculations, are used in order to characterize the performance of different acidic sites caused by the presence of different organic linker substituents. The proposed model allowed differentiation between various active sites over the UiO-66 and clarification of their behavior. The experimental IR bands related to CO adsorption can be unambiguously assigned to o

SUBMITTER: Torbina VV 

PROVIDER: S-EPMC10573255 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature