Caged chalcogens: theoretical studies on a tetracoordinated oxonium dication and its higher homologues

Org Lett. 2010 Feb 19;12(4):772-5. doi: 10.1021/ol902904z.

Abstract

Tetravalent chalcogenium ions utilizing a hydrocarbon cage have been investigated by theoretical means with respect to their geometries and their electronic structure using DFT as well as MP2 calculations. In all cases-even for oxygen-we predict thermodynamically stable molecular entities with chalcogens coordinated by four carbon atoms.