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

Statistics – Computation

Scientific paper

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Computational Chemistry, Dissociation, Electron-Ion Recombination, Molecular Ions, Oxygen Atoms, Oxygen Ions, Atmospheric Chemistry, Autoionization, Configuration Interaction, Electron Energy, Molecular Energy Levels, Self Consistent Fields, Wave Functions

Scientific paper

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 percent and 47 percent smaller respectively, than the v = 0 rate at 300 K.

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