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Quantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor synchronization

Quantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor synchronization
Quantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor synchronization
A new method for the characterization of orientational order in organic solids based on magic-angle spinning NMR spectroscopy is introduced. The method is related to the rotor-synchronized magic-angle spinning experiment proposed by Harbison and Spiess [Chem. Phys. Lett. 124, 128 (1986)], but exploits the anisotropy of the deuterium quadrupolar coupling instead of the carbon-13 chemical shielding anisotropy. Magic-angle spinning provides a sensitivity advantage over pseudostatic techniques; using the deuterium quadrupolar coupling makes the method applicable to systems that do not exhibit large carbon chemical shift anisotropies, such as aliphatic polymers. Due to the magnitude of the deuterium quadrupolar coupling, a large number of spinning sidebands can be reliably observed, allowing for a precise determination of the orientational distribution function. Experimental data are analyzed in terms of Wigner matrix basis functions as well as the conjugate orthogonal functions framework. Unidirectionally cold-drawn poly(ethylene) is used as an example to demonstrate the method.
0021-9606
244504
Nandagopal, Magesh
a08fa4a0-1288-413d-95a2-82eca7d1d8f8
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Nandagopal, Magesh
a08fa4a0-1288-413d-95a2-82eca7d1d8f8
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b

Nandagopal, Magesh and Utz, Marcel (2005) Quantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor synchronization. The Journal of Chemical Physics, 123 (24), 244504. (doi:10.1063/1.2132274).

Record type: Article

Abstract

A new method for the characterization of orientational order in organic solids based on magic-angle spinning NMR spectroscopy is introduced. The method is related to the rotor-synchronized magic-angle spinning experiment proposed by Harbison and Spiess [Chem. Phys. Lett. 124, 128 (1986)], but exploits the anisotropy of the deuterium quadrupolar coupling instead of the carbon-13 chemical shielding anisotropy. Magic-angle spinning provides a sensitivity advantage over pseudostatic techniques; using the deuterium quadrupolar coupling makes the method applicable to systems that do not exhibit large carbon chemical shift anisotropies, such as aliphatic polymers. Due to the magnitude of the deuterium quadrupolar coupling, a large number of spinning sidebands can be reliably observed, allowing for a precise determination of the orientational distribution function. Experimental data are analyzed in terms of Wigner matrix basis functions as well as the conjugate orthogonal functions framework. Unidirectionally cold-drawn poly(ethylene) is used as an example to demonstrate the method.

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Published date: 23 December 2005
Organisations: Chemistry, Faculty of Natural and Environmental Sciences, Magnetic Resonance
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Local EPrints ID: 355567
URI: https://eprints.soton.ac.uk/id/eprint/355567
DOI: doi:10.1063/1.2132274
ISSN: 0021-9606
PURE UUID: aca284c5-35a7-4017-aaa4-6cc090ade7a4
ORCID for Marcel Utz: ORCID iD orcid.org/0000-0003-2274-9672

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Date deposited: 24 Oct 2013 13:37
Last modified: 14 Jul 2018 00:30

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Author: Magesh Nandagopal
Author: Marcel Utz ORCID iD

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