TY  - JOUR
A1  - Shainyan, Bagrat A.
A1  - Ushakov, Igor A.
A1  - Meshcheryakov, Vladimir I.
A1  - Koch, Andreas
A1  - Kleinpeter, Erich
T1  - Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5- dioxaazinane : Perlin effect subject to heteroatom substitution
N2  - Multinuclear dynamic NMR spectroscopy of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane (4) revealed the existence of two close in energy chair conformers with differently oriented CF3 groups with respect to the ring. Of the two alternative routes for their interconversion, the ring inversion path with intermediate formation of the corresponding 2,5-twist-conformer is preferred, with the energy barrier of 11.2 kcal/mol in excellent agreement with the experimental value (11.7 kcal/mol). The Perlin effect is studied experimentally and calculated theoretically for all CH2 groups and found to be subject to the nature of the adjacent heteroatoms O and N, respectively.
Y1  - 2008
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/10788
ER  -