4.7 Article

Communication: THz absorption spectrum of the CO2-H2O complex: Observation and assignment of intermolecular van der Waals vibrations

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 140, 期 9, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.4867901

关键词

-

资金

  1. Danish Council for Independent Research's Sapere Aude Programme [12-125248]

向作者/读者索取更多资源

Terahertz absorption spectra have been recorded for the weakly bound CO2-H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems' flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 +/- 15 cm(-1) from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 +/- 15 cm(-1) for the dissociation energy D-0. (C) 2014 AIP Publishing LLC.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据