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Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: a new method for investigating three-dimensional structures of zeolite frameworks

Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: a new method for investigating three-dimensional structures of zeolite frameworks
Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: a new method for investigating three-dimensional structures of zeolite frameworks
A new 29Si solid-state MAS NMR experiment is described for investigating the framework structures of pure silica zeolites. The symmetry-based homonuclear dipolar recoupling sequence SR26411 has been incorporated into a two-dimensional NMR experiment to probe the Si-O-Si bonding connectivities and long-range Si-Si distances in zeolite frameworks. This dipolar recoupling sequence is shown to have a number of advantages over the J-coupling-based INADEQUATE experiment. For the clathrasil Sigma-2, it is demonstrated that there is excellent agreement between experimental double-quantum build-up curves obtained from a series of two-dimensional double-quantum correlation spectra and simulated curves which consider all Si-Si distances out to 8 Å. This result suggests that this experiment could be used to solve zeolite frameworks with unknown structures.
connectivities
0002-7863
542-543
Brouwer, Darren H.
e9ad5763-0b22-4734-831f-22ead41ada1d
Kristiansen, Per Eugen
3f7f4299-868f-4127-bf96-9cc6253f0c5e
Fyfe, Colin A.
cc77bc49-8272-4550-9c8c-ecf8df7f0222
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Brouwer, Darren H.
e9ad5763-0b22-4734-831f-22ead41ada1d
Kristiansen, Per Eugen
3f7f4299-868f-4127-bf96-9cc6253f0c5e
Fyfe, Colin A.
cc77bc49-8272-4550-9c8c-ecf8df7f0222
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Brouwer, Darren H., Kristiansen, Per Eugen, Fyfe, Colin A. and Levitt, Malcolm H. (2005) Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: a new method for investigating three-dimensional structures of zeolite frameworks. Journal of the American Chemical Society, 127 (2), 542-543. (doi:10.1021/ja043228l).

Record type: Article

Abstract

A new 29Si solid-state MAS NMR experiment is described for investigating the framework structures of pure silica zeolites. The symmetry-based homonuclear dipolar recoupling sequence SR26411 has been incorporated into a two-dimensional NMR experiment to probe the Si-O-Si bonding connectivities and long-range Si-Si distances in zeolite frameworks. This dipolar recoupling sequence is shown to have a number of advantages over the J-coupling-based INADEQUATE experiment. For the clathrasil Sigma-2, it is demonstrated that there is excellent agreement between experimental double-quantum build-up curves obtained from a series of two-dimensional double-quantum correlation spectra and simulated curves which consider all Si-Si distances out to 8 Å. This result suggests that this experiment could be used to solve zeolite frameworks with unknown structures.

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More information

Published date: 19 January 2005
Keywords: connectivities

Identifiers

Local EPrints ID: 20742
URI: http://eprints.soton.ac.uk/id/eprint/20742
ISSN: 0002-7863
PURE UUID: 9eb57c6f-9b14-447d-a4a6-3c068881498f
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

Catalogue record

Date deposited: 02 Mar 2006
Last modified: 03 Dec 2019 01:53

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Contributors

Author: Darren H. Brouwer
Author: Per Eugen Kristiansen
Author: Colin A. Fyfe

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