Characterization of homonuclear diatomic ions by semiempirical morse potential energy curves .2. The rare gas positive ions

被引:36
作者
Chen, ECM [1 ]
Dojahn, JG [1 ]
Wentworth, WE [1 ]
机构
[1] UNIV HOUSTON, DEPT CHEM, HOUSTON, TX 77024 USA
关键词
D O I
10.1021/jp9638954
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
Morse potential energy curves for the lowest six states of the rare gas positive ion dimers have been calculated on the basis of experimental data. For the ground states, there are sufficient measured data to define the curves completely. For the excited states of all the positive ion dimers except neon, there an sufficient measured data to define the curves. To obtain these curves, new assignments of vibrational progressions in high-resolution photoelectron spectra previously published are made and the vertical ionization potentials obtained. The vertical ionization potentials are used to determine the internuclear distances, The ground state ionic and neutral radii for Ne to Xe are 63, 93, 105, and 123 pm and 112, 152, 168, and 194 pm, respectively. ''Virtual'' covalent radii for Ne to Xe are 69, 98, 111, and 126 pm. The curves are consistent with the van der Waals radii of Ne to Xe, which are 154, 185, 200, and 218 pm. From The correlation between the Morse parameters of the isoelectronic ions and the new data for the rare gas positive ions, improved Morse potential energy curves for both the halogen negative ion dimers and the rare gas positive ion dimers are obtained.
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页码:3088 / 3101
页数:14
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