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Synthesis and conformational properties of substituted 1,4,2-oxazasilinanes low temperature NMR study and quantum chemical calculations

  • A number of N-substituted 2,2-dimethyl-1,4,2-oxazasilinanes 1 were synthesized and studied by variable temperature dynamic H-1 and C-13 NMR spectroscopy, room temperature N-15 NMR spectroscopy and theoretical calculations at the DFT and MP2 levels of theory. Both the preferred conformers were assigned and the barrier to the ring inversion of the saturated six-membered ring determined. From 1 the corresponding methyl iodide salts were produced, their structure studied by X-ray analysis and found to be in excellent agreement with the results of the theoretical calculations.

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Author:Nataliya F. Lazareva, Alexander I. Albanov, Bagrat A. Shainyan, Erich Kleinpeter
ISSN:0040-4020 (print)
Parent Title (English):Tetrahedron
Place of publication:Oxford
Document Type:Article
Year of first Publication:2012
Year of Completion:2012
Release Date:2017/03/26
Tag:1,4,2-Oxazasilinanes; Conformational analysis; Dynamic NMR; Quantum chemical calculations; X-ray analysis
First Page:1097
Last Page:1104
Funder:Russian Foundation for Basic Research; Deutsche Forschungsgemeinschaft [11-03-91334]
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer Review:Referiert