• search hit 1 of 12
Back to Result List

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.

Export metadata

Additional Services

Share in Twitter Search Google Scholar Statistics
Metadaten
Author:Bagrat A. Shainyan, Svetlana V. Kirpichenko, Sergei A. Shlykov, Erich Keinpeter
DOI:https://doi.org/10.1021/jp2110852
ISSN:1089-5639 (print)
Parent Title (English):The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment & general theory
Publisher:American Chemical Society
Place of publication:Washington
Document Type:Article
Language:English
Year of first Publication:2012
Year of Completion:2012
Release Date:2017/03/26
Volume:116
Issue:1
Pagenumber:6
First Page:784
Last Page:789
Funder:Russian Foundation for Basic Research and Deutsche Forschungsgemeinschaft (RFBR-DFG) [11-03-91334]
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer Review:Referiert