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Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane: Perlin effect subject to heteroatom substitution by Bagrat A. Shainyan; Igor A. Ushakov; Vladimir I. Meshcheryakov; Andreas Koch; Erich Kleinpeter is a Chemistry article available to read on EtoBox.
What is Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane: Perlin effect subject to heteroatom substitution about?
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 CF 3 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 CH 2 groups and found to be subject to the nature of the adjacent heteroatoms O and N, respectively.
Who reads Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane: Perlin effect subject to heteroatom substitution?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Bagrat A. Shainyan; Igor A. Ushakov; Vladimir I. Meshcheryakov; Andreas Koch; Erich Kleinpeter
- Publisher
- Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0040-4020)
- Published
- 2008
- Language
- EN
- Field
- Chemistry (Physical Sciences)