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Conformation and internal motions of dimethyl sulfate: a microwave spectroscopy study

Publication year: 2011
Source: Chemical Physics Letters, Available online 15 October 2011
Laura B. Favero, Luca Evangelisti, Gang Feng, Lorenzo Spada, Walther Caminati
The rotational spectra of five isotopologues of dimethyl sulfate have been assigned by pulsed-jet Fourier-transform microwave spectroscopy. The global minimum configuration has aC2symmetry, with the two methyl groups nearly trans with respect to the two sulphonic oxygen atoms. The internal rotations of the two methyl groups split each transition into several components line, allowing for the determination of accurate values of theV3barrier height to internal rotation and of the orientation of the methyl groups with respect to the principal axis system. The geometry of the molecular skeleton is fully determined.

Graphical abstract

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Highlights

► The global minimum configuration of dimethylsulfate has aC2symmetry. ► The internal rotations of the two methyl groups split each transition into quartets. ► The internal rotations split each transition into quintets for asymmetrically substituted species. ► The structure of the heavy atoms skeleton is fully determined.

from ScienceDirect Publication: Chemical Physics Letters http://www.sciencedirect.com/science?_ob=GatewayURL&_origin=IRSSCONTENT&_method=citationSearch&_piikey=S0009261411012747&_version=1&md5=d17f77957c74a5cfaf1598a7c26e1368

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