Interactions between Ground State Oxygen Atoms and Molecules: O–O and O2–O2

Abstract

Potential energy curves for O–O interactions corresponding to the $X^3{\Sigma }_g^{-}{,}^1{\Delta }_g{,}^1{\Sigma }_g^{+}{,}^3{\Delta }_u{\mathrm{,\; A}}^3{\Sigma }_u^{+}{,}^1{\Sigma }_u^{-}\mathrm{,\hspace{0.17em}}\mathrm{and}{\mathrm{\hspace{0.17em}B}}^3{\Sigma }_u^{-}$ states of O₂ have been calculated from spectroscopic data by the Rydberg‐Klein‐Rees method. Curves for the remaining twelve states of O₂ dissociating to ground state atoms have been obtained from relations derived from approximate quantum‐mechanical calculations, and checked against the meager experimental information available. Two semi‐independent calculations have been made, and are in good agreement with each other. The quantum‐mechanical relations also lead to an approximate O₂–O₂ interaction, which is consistent with interactions derived from vibrational relaxation times and from high‐temperature gas viscosity data.