Catalysts consisting of single isolated sites have become a subject of great interest in the field of catalysis, since they offer the possibility of creating active centers with a high degree of control in terms of local composition and structure. Such materials are the closest analog in heterogeneous catalysis to homogeneous catalysts. By strategic choice of synthetic methodology, single site catalysts can be created in which the site is a cation or metal atom bonded to an inorganic support through covalent and/or ionic bonds. This talk will illustrate the synthesis of several classes of isolated sites. These will include Ga3+ cations exchanged into zeolite MFI, Hf, cations grafted into the silanol nests of dealuminated zeolite BEA (DeAlBEA), Pt atoms stabilized in Zn nests created in DeAlBEA, and Ti atoms grafted onto silica. We will show how such material can be characterized using a combination of 1H and 29Si NMR, HAADF-STEM, Zn and Pt K-edge XANES and EXAFS and will then discuss their performance for reactions such as aldol condensation of alidentify tdehydes, conversion of ethanol to butamol and isobutene, and the dehydrogenation of alkanes to alkenes. We will also illustrate how DFT calculations can be used to identify the mechanism of these reactions.

Preparation, characterization, and performance of a supported single-site catalysts

ACS Fall 2021

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