Abstract
From the simple Hess cycle EA(O 2) = D 0(O − 2) − D 0(O 2) + EA(O), since the dissociation energy for O 2 and the electron affinity (EA) for O are well known, it is possible to determine the electron affinity of O 2 if the dissociation energy for O − 2 is known accurately. The method of optimized valence configurations is used to determine the binding energy of the ground state of the O − 2 molecule-ion. All important correlation contributions within and between valence shells are obtained using the multiconfiguration self-consistent field (MC SCF) process. The calculations yield an O − 2 dissociation energy value of 4.14 eV which results in EA(O 2) = 0.42 eV. This theoretical value is in good agreement with the generally accepted experimental value of 0.43 ± 0.003 eV.
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