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The microwave spectroscopy study of 1,2-dimethoxyethane

Academic Article
Publication Date:
2017
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.
Iris type:
01.01 Articolo in rivista
Keywords:
Rotational spectroscopy; Supersonic expansion; Molecular structure; Methyl internal rotation
List of contributors:
Favero, Laura
Handle:
https://iris.cnr.it/handle/20.500.14243/395045
Published in:
JOURNAL OF MOLECULAR SPECTROSCOPY
Journal
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https://www.scopus.com/inward/record.uri?eid=2-s2.0-85014205507&doi=10.1016%2fj.jms.2017.02.015&partnerID=40&md5=9fbd865def82b926fa1262b1c1741de8
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