1. THE MICROWAVE SPECTROSCOPY STUDY OF 1,2-DIMETHOXYETHANE
- Author
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Annalisa Vigorito, Weixing Li, Camilla Calabrese, Laura B. Favero, Luca Evangelisti, Assimo Maris, Sonia Melandri, Li, Weixing, Vigorito, Annalisa, Calabrese, Camilla, Evangelisti, Luca, Favero, Laura B., Maris, Assimo, and Melandri, Sonia
- Subjects
Rotational spectroscopy ,Atomic and Molecular Physics, and Optic ,Materials science ,Analytical chemistry ,Rotational transition ,010402 general chemistry ,01 natural sciences ,Methyl internal rotation ,Supersonic expansion ,1,2-Dimethoxyethane ,chemistry.chemical_compound ,symbols.namesake ,Nuclear magnetic resonance ,0103 physical sciences ,Isotopologue ,Physical and Theoretical Chemistry ,Spectroscopy ,Conformational isomerism ,010304 chemical physics ,Spectrometer ,Atomic and Molecular Physics, and Optics ,Dimethoxyethane ,0104 chemical sciences ,Fourier transform ,chemistry ,symbols ,Molecular structure ,Microwave - 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 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.
- Published
- 2017
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