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A valence bond, pseudopotential calculation is presented for the ground and low-lying excited electronic states of Cl2 -, Br2 -, I2 -, ClBr-, ClI-, and BrI-. The results have been used to calculate equilibrium bond lengths, dissociation energies, vibrational frequencies and electronic transition energies and these have been compared with the experimental data on Vk centres in ionic crystals.
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Tasker et al. (1976) studied this question.
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