N,O-Dilithio-2-(N-methylaniino)ethanol:An Intramolecular Mixed Aggregate

摘要

Density functional theory and infrared spectroscopy were used to determine the structure of N,O-dilithio-2-(iV-methylamino)ethanol,a mixed intramolecular aggregate.The calculations indicated that the cyclic form of this compound is more stable than the open form,and that conclusion is consistent with the infrared spectra.The solid-state spectra showed lower Li-N and Li-O vibrational frequencies than were calculated for the gas phase,which is consistent with coordination of lithium to electronegative atoms on adjacent molecules in the solid state.