Interaction Potentials of Uranium Cations with Rare Gases (RG) and Transport of U+ in RG (RG = He, Ne, Ar, Kr, and Xe)

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• 作者：Edmond P. F. Lee ; Larry A. Viehland ; Rainer Johnsen ; W. H. Breckenridge ; Timothy G. Wright
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：November 10, 2011
• 年：2011
• 卷：115
• 期：44
• 页码：12126-12131
• 全文大小：742K
• 年卷期：v.115,no.44(November 10, 2011)
• ISSN：1520-5215

文摘

We present accurate interaction potentials for uranium cations interacting with the rare gases (RG = He鈥揜n), using effective core potentials that include a description of the 5f electrons in the case of uranium, and justify this approximation in some detail. From these interaction potentials, spectroscopic parameters are derived for the Up>+p>鈥揜G complexes. We also employ the potentials to calculate transport coefficients for Up>+p> moving through a bath of each RG. In the case of Up>+p> in He, we are able to compare with previous experimentally determined mobility values, and we make some minor corrections to the previously reported data; this revised data is presented.