Assignment and analysis of the mm-wave rotational spectrum of trichloroethylene: Observation of a new, extended (b)R-band and an overview of high-J, R-type bands
Assignment and analysis of the mm-wave rotational spectrum of trichloroethylene: Observation of a new, extended (b)R-band and an overview of high-J, R-type bands
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DOI：
10.1006/jmsp.1996.0165
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发表时间：
1996-07-01
影响因子：
1.4
通讯作者：
Pszczolkowski, L
中科院分区：
文献类型：
--
作者：
Kisiel, Z;Pszczolkowski, L
通过对高J（B）R跃迁在毫米波区形成的谱带的分析，对三氯乙烯的转动光谱进行了归属。精确的六次能级光谱常数的常见同位素物种，三个单Cl-37取代的物种，三个双Cl-37取代的物种，和四个最低的躺在振动状态的常见物种的报告。报道了三氯乙烯的分子结构，并与从头计算结果进行了比较。观察到一种新的扩展R型带，它产生于转子特性在长轴上极限，它的一般性质被确定，并与其他已知的纯转动R型带进行比较。(C)出版社：Academic Press，Inc.
The rotational spectrum of trichloroethylene was assigned through the analysis of bands formed in the mm-wave region from high-J (b)R transitions. Accurate sextic level spectroscopic constants are reported for the common isotopic species, the three singly Cl-37 substituted species, the three doubly Cl-37 substituted species, and the four lowest lying vibrational states of the common species. The molecular structure for trichloroethylene is reported and compared with ab initio calculations. A new kind of extended R-type band, which arises from rotor properties at the prolate symmetric-top limit, was observed; its general properties are determined and compared with those of other known pure-rotational R-type bands. (C) 1996 Academic Press, Inc.