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Issue 3, 2016
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Methyl and t-butyl group rotation in a molecular solid: 1H NMR spin-lattice relaxation and X-ray diffraction

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Abstract

We report solid state 1H nuclear magnetic resonance spin-lattice relaxation experiments and X-ray diffractometry in 2-t-butyldimethylsilyloxy-6-bromonaphthalene. This compound offers an opportunity to simultaneously investigate, and differentiate between, the rotations of a t-butyl group [C(CH3)3] and its three constituent methyl groups (CH3) and, simultaneously, a pair of ‘lone’ methyl groups (attached to the Si atom). The solid state 1H relaxation experiments determine activation energies for these rotations. We review the models for the dynamics of both ‘lone’ methyl groups (ones whose rotation axes do not move on the NMR time scale) and models for the dynamics of the t-butyl group and its constituent methyl groups (whose rotation axes reorient on the NMR time scale as the t-butyl group rotates).

Graphical abstract: Methyl and t-butyl group rotation in a molecular solid: 1H NMR spin-lattice relaxation and X-ray diffraction

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Supplementary files

Article information


Submitted
22 Aug 2015
Accepted
07 Dec 2015
First published
08 Dec 2015

Phys. Chem. Chem. Phys., 2016,18, 1720-1726
Article type
Paper
Author version available

Methyl and t-butyl group rotation in a molecular solid: 1H NMR spin-lattice relaxation and X-ray diffraction

P. A. Beckmann, C. E. Moore and A. L. Rheingold, Phys. Chem. Chem. Phys., 2016, 18, 1720
DOI: 10.1039/C5CP04994F

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