Jet cooled rotational spectrum of methyl lactate

被引：38

作者：

Ottaviani, Paolo

Velino, Biagio

Caminati, Walther

机构：

[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

[2] Univ Bologna, Dipartimento Chim Fis & Inorgan, I-40136 Bologna, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 428卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2006.07.026

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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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页码：236 / 240

页数：5

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