Add time:08/21/2019 Source:sciencedirect.com
The microwave spectra of four substituted isotopic species of 2-METHOXYETHYLAMINE (cas 109-85-3) (NH2, NHD, NDH, ND2) have been assigned. The molecule is found to exist in a gauche form with an intramolecular hydrogen bond of the NH⋯O type. The four possible sets of the amino hydrogen rs corrdinates give different H⋯H distances, probably because the -NH2 group is involved in large amplitude vibrations and because of changes in the heavy atom positions arising from the deuteration of the hydrogen bond. For the most abundant species many vibrational states have been analyzed and assigned to the two possible CO torsions in the molecule. A value V3 = 3150 ± 50 cal/mol was found for the methyl torsional barrier and V1 = 9 ± 3 kcal/mol for the other CO torsional barrier. A third set of observed vibrational satellites is probably assignable to the CC torsion. The determination of the dipole moment and of the quadrupole coupling constants gave values which were not in good agreement with those predicted from nonhydrogen bonded molecules. In addition a value V3 = 3100 ± 100 cal/mol was calculated for the CH3 torsional barrier in the related 2-methoxyethanol, using previous experimental data (Canad. J. Chem. 50, 1149–1156 (1972)).
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