The pure rotational spectrum of 1,2-dimethoxyethane was measured in the 6â18 and 59.6â74.4Â 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 TGGâ², have been identified, together with their mono-substituted 13C isotopologues. Each rotational transition is split into several components due to the two methyl groups internal rotations. The corresponding V3 barriers have been experimentally determined. MP2/6-311++G(d,p) calculations have provided the determination of the conformational stabilities, structures and spectroscopic parameters.
Li, W., Vigorito, A., Calabrese, C., Evangelisti, L., Favero, L.B., Maris, A., et al. (2017). The microwave spectroscopy study of 1,2-dimethoxyethane. JOURNAL OF MOLECULAR SPECTROSCOPY, 337, 3-8 [10.1016/j.jms.2017.02.015].
The microwave spectroscopy study of 1,2-dimethoxyethane
LI, WEIXING;VIGORITO, ANNALISA;CALABRESE, CAMILLA;EVANGELISTI, LUCA;MARIS, ASSIMO;MELANDRI, SONIA
2017
Abstract
The pure rotational spectrum of 1,2-dimethoxyethane was measured in the 6â18 and 59.6â74.4Â 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 TGGâ², have been identified, together with their mono-substituted 13C isotopologues. Each rotational transition is split into several components due to the two methyl groups internal rotations. The corresponding V3 barriers have been experimentally determined. MP2/6-311++G(d,p) calculations have provided the determination of the conformational stabilities, structures and spectroscopic parameters.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
