Dissociative electron attachment to CH2Cl2, CHCH3Cl2, and C(CH3)2Cl2

被引:9
|
作者
Gallup, Gordon A. [1 ]
Fabrikant, Ilya I. [1 ,2 ]
机构
[1] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA
[2] Open Univ, Dept Phys & Astron, Milton Keynes MK7 6AA, Bucks, England
来源
JOURNAL OF CHEMICAL PHYSICS | 2011年 / 135卷 / 13期
基金
美国国家科学基金会;
关键词
LOW-ENERGY ELECTRONS; NUCLEAR REACTIONS; UNIFIED THEORY; INELASTIC PROCESSES; PHASE-SHIFTS; MOLECULES; COLLISIONS; THRESHOLD; RESONANCE; CHCL3;
D O I
10.1063/1.3646500
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
We perform theoretical studies of dissociative electron attachment (DEA) for the compounds CH2-n(CH3)(n)Cl-2, n = 0, 1, 2, by combining the finite-element discrete model with the resonance R-matrix theory. An unexpectedly low DEA cross section for CH2Cl2 is likely due to the relatively large resonance width for this compound that confirms experimental observations. However, there are some quantitative discrepancies with the experimental results. Since DEA cross sections are very sensitive to the resonance width, a slight adjustment of its value can significantly improve agreement between theory and experiment. Our calculation of the thermal rate coefficients show that there are some inconsistencies between beam and swarm measurements and between different swarm measurements of the rate coefficients for DEA to CH2Cl2. Further experimental and theoretical studies are warranted. (C) 2011 American Institute of Physics. [doi:10.1063/1.3646500]
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页数:8
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