Jet cooled rotational spectrum of methyl lactate

被引：37
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.
引用
收藏
页码：236 / 240
页数：5
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