Structure and conformational properties of 1,3,3-Trimethyl-1,3-Azasilinane gas electron diffraction, dynamic NMR, and theoretical study
- Structure and the conformational properties of 1,3,3-trimethyl-1,3-azasilinane have been studied. According to gas electron diffraction (GED), the molecule exists in a slightly distorted chair conformation with the N-Me group in equatorial position. High-level quantum chemical calculations excellently, reproduce the experimental geometry. Employing variable temperature H-1 and C-13 NMR spectroscopy down to 103 K, the conformational equilibrium could be frozen and the barrier to ring inversion determined.
| Author details: | Bagrat A. Shainyan, Svetlana V. Kirpichenko, Sergei A. Shlykov, Erich Keinpeter |
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| DOI: | https://doi.org/10.1021/jp2110852 |
| ISSN: | 1089-5639 |
| Title of parent work (English): | The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment & general theory |
| Publisher: | American Chemical Society |
| Place of publishing: | Washington |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2012 |
| Publication year: | 2012 |
| Release date: | 2017/03/26 |
| Volume: | 116 |
| Issue: | 1 |
| Number of pages: | 6 |
| First page: | 784 |
| Last Page: | 789 |
| Funding institution: | Russian Foundation for Basic Research and Deutsche Forschungsgemeinschaft (RFBR-DFG) [11-03-91334] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer review: | Referiert |
