Determining the Three-Dimensional Structures of Silica-Supported Metal Complexes from the Ground Up

dc.contributor.author Perras, Frédéric A.
dc.contributor.author Kanbur, Uddhav
dc.contributor.author Paterson, Alexander L.
dc.contributor.author Chatterjee, Puranjan
dc.contributor.author Slowing, Igor
dc.contributor.author Sadow, Aaron
dc.contributor.department Chemistry
dc.contributor.department Ames Laboratory
dc.date.accessioned 2022-01-06T16:01:20Z
dc.date.available 2022-01-06T16:01:20Z
dc.date.issued 2021-12-21
dc.description.abstract The immobilization of molecularly precise metal complexes to substrates, such as silica, provides an attractive platform for the design of active sites in heterogeneous catalysts. Specific steric and electronic variations of the ligand environment enable the development of structure–activity relationships and the knowledge-driven design of catalysts. At present, however, the three-dimensional environment of the precatalyst, much less the active site, is generally not known for heterogeneous single-site catalysts. We explored the degree to which NMR-based surface-to-complex interatomic distances could be used to solve the three-dimensional structures of three silica-supported metal complexes. The structure solution revealed unexpected features related to the environment around the metal that would be difficult to discern otherwise. This approach appears to be highly robust and, due to its simplicity, is readily applied to most single-site catalysts with little extra effort.
dc.description.comments This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Inorganic Chemistry, copyright © 2021 American Chemical Society after peer review. To access the final edited and published work see DOI: 10.1021/acs.inorgchem.1c03200. Posted with permission.
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/ywAbny9v
dc.language.iso en_US
dc.publisher American Chemical Society
dc.source.uri https://doi.org/10.1021/acs.inorgchem.1c03200 *
dc.subject.disciplines DegreeDisciplines::Physical Sciences and Mathematics::Chemistry::Inorganic Chemistry
dc.title Determining the Three-Dimensional Structures of Silica-Supported Metal Complexes from the Ground Up
dc.type Article
dspace.entity.type Publication
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