Newly calculated absolute cross-section for the electron-impact ionization of C2H2+

被引:12
|
作者
Deutsch, H
Becker, K
Defrance, P
Probst, M
Limtrakul, J
Märk, TD
机构
[1] Ernst Moritz Arndt Univ Greifswald, Inst Phys, D-17487 Greifswald, Germany
[2] Stevens Inst Technol, Dept Phys, Hoboken, NJ 07030 USA
[3] Stevens Inst Technol, Ctr Environm Syst, Hoboken, NJ 07030 USA
[4] Catholic Univ Louvain, Dept Phys, PAMO, B-1348 Louvain, Belgium
[5] Univ Innsbruck, Inst Ionenphys, A-6020 Innsbruck, Austria
[6] Kasetsart Univ, Dept Chem, Bangkok 10900, Thailand
来源
EUROPEAN PHYSICAL JOURNAL D | 2006年 / 38卷 / 03期
关键词
D O I
10.1140/epjd/e2006-00055-9
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
New measurements of the cross-section for electron impact ionization of the molecular ion C2H2+ have been carried out recently. These data differ significantly from earlier data, because cross-sections corresponding to all the possible dissociative ionization processes were determined. The new data in conjunction with the significant discrepancies between the earlier data and the results of various calculations, which disagreed among themselves by a factor of 3, motivated a renewed attempt to apply the semi-classical Deutsch-Mark (DM) formalism to the calculation of the absolute electron-impact ionization cross-section of this molecular ion. A quantum chemical molecular orbital population analysis for both the neutral molecule and the ion revealed that in the case of C2H2+ the singly occupied molecular orbital (i.e. the "missing" electron) is highly localized near the site of a C atom in the molecule. This information is explicitly incorporated in our formalism. The results obtained by taking the ionic character directly into account are in excellent agreement with the recent experimental data.
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页码:489 / 493
页数:5
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