Publication: Caged Chalcogens: Theoretical Studies on a Tetracoordinated Oxonium Dication and Its Higher Homologues
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Date
2010
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Publisher
Amer Chemical Soc
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.