Refine
Has Fulltext
- no (1)
Year of publication
- 2012 (1) (remove)
Document Type
- Article (1)
Language
- English (1)
Is part of the Bibliography
- yes (1)
Keywords
- Quantum chemical calculations (1) (remove)
Institute
1-Isopropyl-3-methyl-3-phenyl-1,3-azasilinane 1 and 1-isopropyl-3,3-dimethyl-1,3-azasilinane 2 were synthesized and a detailed analysis of their NMR spectra, conformational equilibria and ring inversion processes is presented. Low temperature H-1/C-13 NMR spectroscopy, iteration of the H-1 NMR spectra and quantum chemical calculations showed slight predominance of the PheqMeax over the PhaxMeeq conformer of 1 at low temperature. The barrier for the chair to chair interconversion of both compounds was measured to be 8.25 kcal/mol.