Theoretical study of the I plus plus I- mutual neutralization reaction

被引:0
|
作者
Badin, Sylvain [1 ,2 ]
Yuan, Xiang [1 ,3 ]
Bourgeois, Pierre-Louis [2 ]
Gomes, Andre Severo Pereira [1 ]
Sisourat, Nicolas [2 ]
机构
[1] Univ Lille, CNRS, UMR 8523, PhLAM Phys Lasers Atomes & Mol, F-59000 Lille, France
[2] Sorbonne Univ, CNRS, Lab Chim Phys Matiere & Rayonnement, UMR 7614, F-75005 Paris, France
[3] Vrije Univ Amsterdam, Fac Sci, Dept Chem & Pharmaceut Sci, de Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands
关键词
ION-ION RECOMBINATION; CHEMISTRY;
D O I
10.1103/PhysRevA.107.022808
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We have computed the cross sections of the mutual neutralization reaction between I+ and I- for a collision energy varying from 0.001 eV to 50 eV. These cross sections were obtained using the adiabatic potential energy curves of the I2 system computed with a direct relativistic multireference configuration interaction method and a semiclassical approach (i.e., Landau-Zener surface hopping). We report the cross sections towards the following neutral states: I(2P3/2) +I(2P3/2), I(2P3/2) +I(2P1/2), I(2P1/2) + I(2P1/2), and I(5p46s) + I(2P3/2). We also dis-cuss the cross sections towards the following two excited ionic states: I-(1S0) + I+(3P0) and I-(1S0) + I+(3D2). The results of these calculations are in qualitative accordance with recent experimental measurements conducted in the Double ElectroStatic Ion Ring ExpEriment (DESIREE) in Stockholm. These results can be used to model iodine plasma kinetics and thus to improve our understanding of the latter.
引用
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页数:9
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