THE 2ND TORSIONAL STATE OF ACETALDEHYDE

被引:59
作者
BELOV, SP
TRETYAKOV, MY
KLEINER, I
HOUGEN, JT
机构
[1] UNIV PARIS 06,PHYS MOLEC & APPLICAT LAB,F-75252 PARIS 05,FRANCE
[2] CNRS,F-75252 PARIS 05,FRANCE
[3] NATL INST STAND & TECHNOL,DIV MOLEC PHYS,GAITHERSBURG,MD 20899
关键词
D O I
10.1006/jmsp.1993.1157
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
We have fit to within experimental accuracy a data set for acetaldehyde obtained by combining 1014 vt = 0, 840 vt = 1, and 430 vt = 2 microwave lines with 420 vt = 1 ← 0 and 404 vt = 2 ← 1 far-infrared lines. The principal additions to the previously treated vt = 0 and vt = 1 microwave data set consist of about 250 new measurements from Barclay, Anderson, and Ziurys and 900 new measurements from Nizhny Novgorod; the vt = 2 measurements include about 400 lines from Nizhny Novgorod and a few lines from various other sources. The previously treated vt = 1 ← 0 far-infrared data set was extended by adding about 200 high-J lines from the 1 ← 0 fundamental band and 400 lines from the 2 ← 1 hot band, all taken from a previously reported Fourier transform spectrum. The final fit, which uses a slightly extended model from the literature. requires 48 parameters to achieve an overall unitless weighted standard deviation of 1.06. The present fit includes essentially all available infrared and microwave transitions involving torsional lexels below the top of the internal rotation barrier. © 1993 Academic Press, Inc.
引用
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页码:61 / 72
页数:12
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