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Updated: Aug 13, 2026

High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy
Published on: October 9, 2020
Quantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor
Magesh Nandagopal1, Marcel Utz
1Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269, USA.
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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