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.
The microwave spectroscopy study of 1,2-dimethoxyethane / Li, Weixing; Vigorito, Annalisa; Calabrese, Camilla; Evangelisti, Luca; Favero, Laura B.; Maris, Assimo; Melandri, Sonia. - In: JOURNAL OF MOLECULAR SPECTROSCOPY. - ISSN 0022-2852. - STAMPA. - 337:(2017), pp. 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.
