The microwave spectroscopy study of 1,2-dimethoxyethane

Abstract The pure rotational spectrum of 1,2-dimethoxyethane was measured in the 6–18 and 59.6–74.4 GHz frequency ranges using a cavity-based pulsed jet Fourier transform microwave spectrometer and a Stark modulated free-jet millimeter-wave absorption spectrometer, respectively. Two conformers, TGT and TGG ′, have been identified, together with their mono-substituted 13 C isotopologues. Each rotational transition is split into several components due to the two methyl groups internal rotations. The corresponding V 3 barriers have been experimentally determined. MP2/6-311++G(d,p) calculations have provided the determination of the conformational stabilities, structures and spectroscopic parameters.