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Three-Dimensional Structure Determination of Surface Sites.

ABSTRACT: 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.

SUBMITTER: Berruyer P

PROVIDER: S-EPMC5719466 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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Three-Dimensional Structure Determination of Surface Sites.

Berruyer Pierrick P Lelli Moreno M Conley Matthew P MP Silverio Daniel L DL Widdifield Cory M CM Siddiqi Georges G Gajan David D Lesage Anne A Copéret Christophe C Emsley Lyndon L

Journal of the American Chemical Society 20170105 2

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 N ...[more]

PMID: 27997167

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