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Natural abundance carbon-13 and deuterium NMR studies on the liquid and solid phases of tert-butyl iodide

✍ Scribed by D. W. Aksnes; Kari Ramstad

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
572 KB
Volume
27
Category
Article
ISSN
0749-1581

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✦ Synopsis

Carbon-13, deuterium and proton NMR line shapes of polycrystalline tert-butyl iodide (1) have been studied between 200 K and the melting point (239 K). Carbon-13 and deuterium spin-lattice relaxation times (T ) were measured between 313 and 200 K in the liquid and solid phases of 1. The NMR line shape data indicate the occurrence of two disordered phases of 1 between the melting point and 222 K. An analysis of the C and H T relaxation times is reported. The C and H T relaxation is governed by overall molecular tumbling in the liquid and disordered phases of 1, whereas the C T relaxation in the ordered solid is governed by uniaxial molecular reorientation of the tert-butyl group. Rotational correlation times, activation energies and pre-exponential factors were obtained from the T data by using the Arrhenius equation. Significantly different activation parameters were obtained for the two disordered solids. The effective correlation time at the melting point of 1 (ca. 5 ps) is 2-3 times longer than for other globular tert-butyl compounds.

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