Conformational analysis of three simple organosilicon compounds

Autor: Jaap N. Louwen, Aart A. van Beuzekom, Johan Lugtenburg, L. W. Jenneskens, Ellen M. M. van den Berg
Rok vydání: 2010
Předmět:
Zdroj: Recueil des Travaux Chimiques des Pays-Bas. 108:230-234
ISSN: 0165-0513
DOI: 10.1002/recl.19891080607
Popis: The 1H NMR spectra of 3-(triethoxysilyl)propanenitrile (1), 3-(trichlorosilyl)propanenitrile (2) and trichloropropylsilane (3) show that these systems are present to about 40% in the gauche conformer. For 1 and 3, the solvent dependence of the conformational equilibrium has also been studied. In more polar solvents, the more polar gauche conformers contribute to a greater extent to the equilibrium mixture. The results of MNDO calculations for these compounds are compared with the conclusions drawn from the NMRz measurements. The reliability of MNDO for the description of this type of organosilicon compound is described.
Databáze: OpenAIRE