Three-Dimensional Structure Determination of Surface Sites
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- 作者：Pierrick Berruyer ; Moreno Lelli ; Matthew P. Conley ; Daniel L. Silverio ; Cory M. Widdifield ; Georges Siddiqi ; David Gajan ; Anne Lesage ; Christophe CopéretLyndon Emsley
- 刊名：Journal of the American Chemical Society
- 出版年：2017
- 出版时间：January 18, 2017
- 年：2017
- 卷：139
- 期：2
- 页码：849-855
- 全文大小：544K
- ISSN：1520-5126
文摘
The spatial arrangement of atoms is directly linked to chemical function. A fundamental challenge in surface chemistry and catalysis relates to the determination of three-dimensional structures with atomic-level precision. Here we determine the three-dimensional structure of an organometallic complex on an amorphous silica surface using solid-state NMR measurements, enabled through a dynamic nuclear polarization surface enhanced NMR spectroscopy approach that induces a 200-fold increase in the NMR sensitivity for the surface species. The result, in combination with EXAFS, is a detailed structure for the surface complex determined with a precision of 0.7 Å. We observe a single well-defined conformation that is folded toward the surface in such a way as to include an interaction between the platinum metal center and the surface oxygen atoms.