| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5387359 | Chemical Physics Letters | 2008 | 4 Pages |
Abstract
The complex between the triply-charged cation Al3+ and a neon atom is investigated using high-level ab initio calculations. Vibrational and rotational spectroscopic parameters are calculated. It is concluded that the Al3+. Ne complex is kinetically stable and should be observable. We also report calculated mobilities of Al3+ ions moving through He and Ne, the first report of the mobility of a trication.
Graphical abstractCASSCF + MRCI + Q potential energy curves for Al3+-Ne and Al2+-Ne+. There is an avoided crossing between the two 1Σ+ states.Download full-size image
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Timothy G. Wright, Edmond P.F. Lee, Larry A. Viehland,