Ab initio valence bond calculations and the spin-paired diradical character of S
4
2+ |
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| Authors: | Frances L Skrezenek Richard D Harcourt |
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| Institution: | (1) Department of Physical Chemistry, University of Melbourne, 3052 Parkville, Victoria, Australia |
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| Abstract: | The results of some ab initio valence bond calculations, with STO-6G basis sets for the s and p orbitals, are reported for the ground state of cyclic S
4
2+
. The sum of the weights for two  long-bond (or spin-paired diradical) structures is approximately 50% of the total. |
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| Keywords: | Valence bond S
4
2+ Increased valence |
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