Internal hydrogen bond, torsional motion, and molecular properties of 2-METHOXYETHYLAMINE (cas 109-85-3) by microwave spectroscopy: Methyl barrier to internal rotation for 2-methoxyethanol

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 NH⋯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 CO 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 CO torsional barrier. A third set of observed vibrational satellites is probably assignable to the CC 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)).

We also recommend Trading Suppliers and Manufacturers of 2-METHOXYETHYLAMINE (cas 109-85-3). Pls Click Website Link as below: cas 109-85-3 suppliers

Prev:2-METHOXYETHYLAMINE (cas 109-85-3): Detection of a second conformer by microwave spectroscopy
Next:Synthesis, characterization and X-ray crystal structure of [Re(L4)(CO)3]Br · 2CH3OH (L4 = N,N-bis[(2-diphenylphosphino)ethyl]methoxyethylamine): A model compound for novel cationic 99mTc(I)-tricarbonyl radiotracers useful for heart imaging)