Abstract
Significantly higher in energy (24 kJ mol-1 ) than the triplet ground state (3 Σg- ) is the 1 Δg state of ethenedithione (S=C=C=S), in agreement with Hund's rule. This result was obtained from high-level ab initio calculations. Thus, ethenedithione cannot, as had been proposed, be considered as the first example for the violation of Hund's rule in an equilibrium structure.
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