The production of O(1S) from dissociative recombination of O2 +

The production of O(1S) from dissociative recombination of O2 +
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O2 解离重组产生 O(1S)

DOI:
10.1038/327408a0
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发表时间:
1987
期刊:
影响因子:
64.8
通讯作者:
S. Guberman
S. Guberman
中科院分区:
综合性期刊1区
文献类型:
--
作者:
S. Guberman

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对电子温度在100~3000K范围内O2(+)的解离结合生成O(1D)的速率进行了大规模从头算计算,结果表明,从v=0到3000K,1-β-u态是主要的解离途径,3-sigma-u(-)态是从v=1和v=2最重要的解离途径。在室温附近,由v=0产生O(1d)的总速率为2.21(+0.21,-0.24)×10(-7)x(Tsube/300)exp-0.46。在300K时,v=1和v=2比v=0分别小约17%和47%。
The results of large scale ab initio calculations of the rates for production of O(1D) by dissociative combination of O2(+) are presented for electron temperatures in the range 100 to 3000 K. A 1-delta-u state is the dominant dissociative route from v = 0 and a 3-sigma-u(-) state is the most important route from v = 1 and v = 2. The calculated total rate for O(1D) production from v = 0 is 2.21(+0.21,-0.24) x 10(-7) x (T sub e/300) exp -.46 near room temperature. The v = 1 and v = 2 rates are about 17% and 47% smaller respectively, than the v = 0 rate at 300 K.