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The Millimeter‐ and Submillimeter‐Wave Spectrum oftrans‐Ethyl Alcohol

 

作者: J. C. Pearson,   K. V. L. N. Sastry,   M. Winnewisser,   Eric Herbst,   Frank C. De Lucia,  

 

期刊: Journal of Physical & Chemical Reference Data  (AIP Available online 1995)
卷期: Volume 24, issue 1  

页码: 1-32

 

ISSN:0047-2689

 

年代: 1995

 

DOI:10.1063/1.555972

 

出版商: AIP

 

数据来源: AIP

 

摘要:

The rotational‐torsional spectrum of thetransrotational isomer of ethyl alcohol was investigated in the 65–350 GHz frequency region. A total of 481 ground state transitions over a range ofJandKavalues up to 33 and 10, respectively, were measured and assigned. Doublets or triplets arising from theAandEtorsional states of thev=0 torsional level of the three‐fold‐symmetric methyl internal rotation have been resolved in 168 of these transitions. Internal rotation theory predicts a significant number ofc‐typeE‐state transitions normally forbidden, but allowed when the rotational asymmetry operators mixE‐state rotational‐torsional levels. Over 40 of these transitions have been observed. The newly measured transitions, along with the results of many previous measurements, have been analyzed using an IAM internal rotation Hamiltonian and a WatsonA‐reduced Hamiltonian to determine the rotational, centrifugal distortion, and torsional constants. The IAM analysis accounts for all of the analyzed transitions in thetransisomer, but for some applications the asymmetric rotor analysis is a satisfactory description of the molecule. TheJandKalimits where thetransisomer can be analyzed without considering interactions with thegauchestates are also discussed. Predicted frequencies for transitions unaffected by thegauchestates are presented through 600 GHz using the constants determined by this work.

 

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