Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Accepted Manuscript

Publication Date

2021

Journal or Book Title

Inorganic Chemistry Frontiers

DOI

10.1039/D0QI01241F

Abstract

Dynamics are intricately linked with activity and selectivity when it comes to catalysis, as noted for instance in the enzymatic principles of induced fit and allostery, and yet the range of motions heterogeneous catalytic sites are able to undergo is poorly understood. Solid-state nuclear magnetic resonance (NMR) spectroscopy is perhaps the only tool capable of probing the rapid conformational dynamics found in heterogeneous catalysts but has historically been restricted by its low sensitivity, limiting the detail with which structures can be resolved. Here, we apply solid-state NMR and dynamic nuclear polarization, in combination with density functional theory modeling, to reveal the high-resolution structure and motional freedom of a scandium supported complex in three dimensions. The results are contrasted with the study of the analogous homoleptic complex in the crystalline state, highlighting the impacts that surface structure may have on the dynamics of supported complexes.

Comments

This is a manuscript of an article published as Paterson, Alexander L., Da-Jiang Liu, Uddhav Kanbur, Aaron D. Sadow, and Frédéric A. Perras. "Observing the Three-Dimensional Dynamics of Supported Metal Complexes." Inorganic Chemistry Frontiers (2021). DOI: 10.1039/D0QI01241F. Posted with permission.

Copyright Owner

the Partner Organisations

Language

en

File Format

application/pdf

Available for download on Wednesday, December 29, 2021

Published Version

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