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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.
Author details: | Nataliya F. Lazareva, Alexander I. Albanov, Bagrat A. Shainyan, Erich KleinpeterORCiDGND |
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DOI: | https://doi.org/10.1016/j.tet.2011.11.077 |
ISSN: | 0040-4020 |
Title of parent work (English): | Tetrahedron |
Publisher: | Elsevier |
Place of publishing: | Oxford |
Publication type: | Article |
Language: | English |
Year of first publication: | 2012 |
Publication year: | 2012 |
Release date: | 2017/03/26 |
Tag: | 1,4,2-Oxazasilinanes; Conformational analysis; Dynamic NMR; Quantum chemical calculations; X-ray analysis |
Volume: | 68 |
Issue: | 4 |
Number of pages: | 8 |
First page: | 1097 |
Last Page: | 1104 |
Funding institution: | Russian Foundation for Basic Research; Deutsche Forschungsgemeinschaft [11-03-91334] |
Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
Peer review: | Referiert |