Open AccessThree-Dimensional Structure Determination of Surface Sites
Author(s) -
Pierrick Berruyer,
Moreno Lelli,
Matthew P. Conley,
Daniel L. Silverio,
Cory M. Widdifield,
Georges Siddiqi,
David Gajan,
Anne Lesage,
Christophe Copéret,
Lyndon Emsley
Publication year - 2016
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/jacs.6b10894
Subject(s) - chemistry , extended x ray absorption fine structure , nuclear magnetic resonance spectroscopy , surface (topology) , amorphous solid , platinum , organometallic chemistry , surface science , chemical physics , spectroscopy , polarization (electrochemistry) , metal , crystallography , catalysis , crystal structure , absorption spectroscopy , stereochemistry , organic chemistry , physics , geometry , mathematics , quantum mechanics
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.
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