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Pericyclic transition-state-like aromaticity in the inorganic ions Se2i4(2+) and S2O4(2-)
Qin Zhang1, Xin Lu, Rong-Bin Huang
1State Key Laboratory for Physical Chemistry of Solid Surfaces and Center for Theoretical Chemistry, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Abstract:
We show, by means of quantum chemical calculations, that the inorganic ions Se2I4(2+) and S2O4(2-), whose structures have been long-known and well-characterized, have aromaticity resulting from through-space conjugation, analogous to the aromaticity in the transition states of some pericyclic reactions, such as Cope rearrangements and Diels-Alder reactions.
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