title: 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.
authors.affiliation: Institut des Sciences Analytiques UMR 5280 (CNRS/Université Lyon 1/ENS Lyon), Université de Lyon , Centre de RMN à Très Hauts Champs, 69100 Villeurbanne, France.
authors.forename: Pierrick
authors.initials: P
authors.lastname: Berruyer
authors.affiliation: Magnetic Resonance Center (CERM), University of Florence , 50019 Sesto Fiorentino (FI), Italy.
authors.forename: Moreno
authors.initials: M
authors.lastname: Lelli
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH Zurich , CH-8037 Zurich, Switzerland.
authors.forename: Matthew P
authors.initials: MP
authors.lastname: Conley
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH Zurich , CH-8037 Zurich, Switzerland.
authors.forename: Daniel L
authors.initials: DL
authors.lastname: Silverio
authors.affiliation: Department of Chemistry, Durham University , DH1 3LE Durham, United Kingdom.
authors.forename: Cory M
authors.initials: CM
authors.lastname: Widdifield
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH Zurich , CH-8037 Zurich, Switzerland.
authors.forename: Georges
authors.initials: G
authors.lastname: Siddiqi
authors.affiliation: Institut des Sciences Analytiques UMR 5280 (CNRS/Université Lyon 1/ENS Lyon), Université de Lyon , Centre de RMN à Très Hauts Champs, 69100 Villeurbanne, France.
authors.forename: David
authors.initials: D
authors.lastname: Gajan
authors.affiliation: Institut des Sciences Analytiques UMR 5280 (CNRS/Université Lyon 1/ENS Lyon), Université de Lyon , Centre de RMN à Très Hauts Champs, 69100 Villeurbanne, France.
authors.forename: Anne
authors.initials: A
authors.lastname: Lesage
authors.affiliation: Department of Chemistry and Applied Biosciences, ETH Zurich , CH-8037 Zurich, Switzerland.
authors.forename: Christophe
authors.identifier: 0000-0001-9660-3890
authors.initials: C
authors.lastname: Copéret
authors.affiliation: Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL) , CH-1015 Lausanne, Switzerland.
authors.forename: Lyndon
authors.identifier: 0000-0003-1360-2572
authors.initials: L
authors.lastname: Emsley