English

R-matrix calculation of electron collisions with electronically excited O2 molecules

Chemical Physics 2008-12-18 v1 Astrophysics

Abstract

Low-energy electron collisions with O2_2 molecules are studied using the fixed-bond R-matrix method. In addition to the O2_2 X3Σg{X}^3\Sigma_{g}^- ground state, integrated cross sections are calculated for elecron collisions with the a1Δg{a}^1\Delta_{g} and b1Σg+{b}^1\Sigma_{g}^+ excited states of O2_2 molecules. 13 target electronic states of O2_2 are included in the model within a valence configuration interaction representations of the target states. Elastic cross sections for the a1Δg{a}^1\Delta_{g} and b1Σg+{b}^1\Sigma_{g}^+ excited states are similar to the cross sections for the X3Σg{X}^3\Sigma_{g}^- ground state. As in case of excitation from the X3Σg{X}^3\Sigma_{g}^- state, the O2_2^- Πu\Pi_u resonance makes the dominant contribution to excitation cross sections from the a1Δg{a}^1\Delta_{g} and b1Σg+{b}^1\Sigma_{g}^+ states. The magnitude of excitation cross sections from the a1Δg{a}^1\Delta_{g} state to the b1Σg+{b}^1\Sigma_{g}^+ state is about 10 time larger than the corresponding cross sections from the X3Σg{X}^3\Sigma_{g}^- to the b1Σg+{b}^1\Sigma_{g}^+ state. For this a1Δg{a}^1\Delta_{g} \to b1Σg+{b}^1\Sigma_{g}^+ transition, our cross section at 4.5 eV agrees well with the available experimental value. These results should be important for models of plasma discharge chemistry which often requires cross sections between the excited electronic states of O2_2.

Keywords

Cite

@article{arxiv.physics/0604098,
  title  = {R-matrix calculation of electron collisions with electronically excited O2 molecules},
  author = {Motomichi Tashiro and Keiji Morokuma and Jonathan Tennyson},
  journal= {arXiv preprint arXiv:physics/0604098},
  year   = {2008}
}

Comments

26 pages, 10 figures