Collect. Czech. Chem. Commun. 1987, 52, 1256-1271

Conformation of dimethylaminoethanol, its methyl ether and of the corresponding trimethylammonium iodides. NMR and vibrational spectra

Jan Štokr, Bohdan Schneider, Danica Doskočilová, Stanislav Ševčík and Martin Přádný

Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06 Prague 6


By analysis of fully coupled 13C NMR spectra and of 1H NMR spectra of dimethylaminoethanol, its methyl ether, and of the corresponding trimethylammonium iodides, populations of isomers generated by rotation about the bonds N-CH2, CH2-CH2, and CH2-O in these compounds in solution were determined. By analysis of Raman and infrared spectra of these compounds in the solid and liquid states it was found that in the crystalline state these compounds form structures with parallel N-CH3 and O-CH2 bonds, which are also preferred in the liquid state.