High resolution rotational spectroscopy on D2O up to 2.7 THz in its ground and first excited vibrational bending states

被引:23
作者
Bruenken, Sandra
Mueller, Holger S. P.
Endres, Christian
Lewen, Frank
Giesen, Thomas
Drouin, Brian
Pearson, John C.
Maeder, Heinrich
机构
[1] Univ Cologne, Inst Phys 1, D-50937 Cologne, Germany
[2] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA
[3] Univ Kiel, Inst Phys Chem, D-24098 Kiel, Germany
关键词
D O I
10.1039/b613925f
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 present highly accurate laboratory measurements on the pure rotational spectrum of doubly deuterated water, D2O, in selected frequency regions from 10 GHz up to 2.7 THz. Around 140 rotational transitions in both the vibrational ground and first excited bending states (v(2) = 0,1) were measured in total, involving energy levels with unexcelled high J and K-a rotational quantum numbers. The data give valuable information for the spectroscopic analysis of this molecule. In the case of the light and non-rigid water molecule, standard methods for its analysis are limited due to large centrifugal distortion interactions. Here, we present a global analysis of rotational and rovibrational data of the v(2) = 0 and 1 states of D2O by means of an Euler expansion of the Hamiltonian. In addition to the newly measured pure rotational transitions, around 4000 rotational and rovibrational lines have been included from previous work. It was possible to reproduce the extensive dataset to nearly its experimental uncertainty. The improved predictive capability of the model compared to previous work will be demonstrated.
引用
收藏
页码:2103 / 2112
页数:10
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