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In-situ High Field, High Resolution NMR Spectroscopy

EMSL Project ID


A magic angle turning (MAT) solid state NMR probe with discrete sample rotation is proposed so that a combination of temperature, pressure, and flow control is possible while a high resolution isotropic spectrum is obtained for nuclei with spin=1/2. In this method, denoted DMAT for "discrete magic angle turning", the sample can rotate back and forth. Since less than 360 sample rotation is involved, the reactants can be introduced into the NMR probe without the plumbing interfering with the mechanics associated with continuous sample rotation. Furthermore, precise control over reaction conditions such as temperature, pressure, flow conditions, and feed compositions is possible. Under these conditions the reaction mechanisms can be studied in-situ and there are prospects for the very important, but heretofore difficult to address, issue of reaction-induced changes in the chemical and physical properties of the catalyst. In the current application, the new capability will be used to study two model catalytic processes, i.e., the redox (oxidative conversion of methanol to formaldehyde) and the acid chemistry (alcohol dehydration and isobutene reactions). However, the in-situ characterization of a catalytic reaction process by the proposed methodologies can be applied to a large variety of catalytic processes.
Additionally a variety of conventional solid sate magic angle spinning NMR methods will be utilized for charactering both the catalysts and products when needed by the collaborators of the funded multi-institute DOE catalyst science project.

Project Details

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Principal Investigator

Jian-zhi Hu
Pacific Northwest National Laboratory

Team Members

Charles Peden
Pacific Northwest National Laboratory

Yong Wang
Washington State University

Related Publications

Cheng Y, J Hoard, C Lambert, JH Kwak, and CHF Peden. 2008. "NMR Studies of Cu/zeolite SCR Catalysts Hydrothermally Aged with Urea." Catalysis Today 136(1-2):34-39. doi:10.1016/j.cattod.2008.01.019
Line narrowing in 1H MAS spectrum ofmesoporous silica by removing adsorbed H2O using N2