Article ID Journal Published Year Pages File Type
5415594 Journal of Molecular Spectroscopy 2009 5 Pages PDF
Abstract

The Fourier transform microwave spectrum of ethyl acetate has been measured under molecular beam conditions. The trans conformer, where all heavy atoms are located within a mirror plane, was identified after analyzing the spectrum by comparison with theoretical calculations. The barrier to internal rotation of the acetate methyl group was found to be only 99.57(11) cm−1 whereas for methyl torsion in the ethyl group a barrier of 1112.3(37) cm−1 was determined. A comparison between two theoretical approaches treating the internal rotation, the so-called RAM (Rho Axis Method) and CAM (Combined Axis Method), is also performed.

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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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