Journal
CHEMICAL PHYSICS LETTERS
Volume 428, Issue 4-6, Pages 236-240Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2006.07.026
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We report here the measurements of the rotational spectra of the main, O-d and four C-13 species of methyl-lactate. They have been obtained by free jet millimeter-wave absorption and molecular beam Fourier-transform microwave spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group acting as a proton donor to the carbonylic group oxygen, have been observed. The 1 3 barrier to internal rotation of the CH3-O methyl group has been determined to be 4.84(2) U mol(-1). The experimental conformational and structural information are compared to those given by MP2/6-311++G(d,p) calculations. (c) 2006 Elsevier B.V. All rights reserved.
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