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The Double tert-Butyl Rotation in Solid cis-2-tert-Butyl-5-(tert-butylsulphonyl)-1,3-dioxane

✍ Scribed by Frank G. Riddell; Martin Rogerson


Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
245 KB
Volume
35
Category
Article
ISSN
0749-1581

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✦ Synopsis


cis-2-tert-Butyl-5-(tert-butylsulphonyl

)-1,3-dioxane displays a double tert-butyl coalescence at low temperatures in its 13C CP/MAS NMR spectrum associated with slowing down of the rotation of both tert-butyl groups. The overlap of the resonances precluded the measurement of rates of rotation from lineshape analyses. However, 13C

measurements above coalescence allowed rates of rotation and activation parameters for the rotations of both T 1o groups to be derived. The C-tert-butyl group has DHt = 26.3 » 3.6 kJ mol-1 and DSt Ô 13 » 14 J K-1 mol-1. The S-tert-butyl group has DHt = 31.8 » 2.2 kJ mol-1 and DSt Ô 9 J K-1 mol-1.


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