Rate coefficients of open shell molecules and radicals: R -matrix method

Abstract

The open shell molecules with even number of electrons have π ² or \({\pi ^{2}_{g}}\) ground-state electronic configuration. Several homonuclear diatomic molecules like O₂, S₂, B₂ have \({\pi ^{2}_{g}}\) ground state in the \(D_{\infty h}\) point group and heteronuclear diatomic radicals like PH, NH, SO have π ² ground state in the \(C_{\infty v}\) point group. We have computed and presented here the rate coefficient of these open shell molecules (O₂, S₂, B₂) and radicals (PH, NH, SO) from the results of our previous studies using a well-established ab-initio formalism: the R-matrix method. The rate coefficients for elastic and electron-excited processes are studied over a wide electron temperature range.

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