5 years ago

Active Sites in Supported Single-Site Catalysts: An NMR Perspective

Active Sites in Supported Single-Site Catalysts: An NMR Perspective
Wei-Chih Liao, Christophe Copéret, Christopher P. Gordon, Ta-Chung Ong
Development of well-defined heterogeneous catalysts requires detailed structural characterization of active sites, an essential step toward establishing structure–activity relationships and promoting rational designs of catalysts. Solid-state NMR has emerged as a powerful approach to provide key molecular-level information about active-site structures and dynamics in heterogeneous catalysis. Here, we describe how one can apply solid-state NMR, ranging from 1D chemical shift assignments (and additional parameters, CQ and η, for quadrupolar nuclei, I > 1/2) to 2D correlations, to analysis of chemical shift anisotropy, providing unprecedented structural information about a broad range of materials. We also describe how modern hyperpolarization techniques like dynamic nuclear polarization can be used to improve the sensitivity of NMR, and make various challenging 1D/2D NMR experiments feasible, thus paving the way to determine the structures of surface sites.

Publisher URL: http://dx.doi.org/10.1021/jacs.6b12981

DOI: 10.1021/jacs.6b12981

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