Caged chalcogens: theoretical studies on a tetracoordinated oxonium dication and its higher homologues.
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.
Schneider
Tobias F
TF
Institut für Organische und Biomolekulare Chemie der Georg-August-Universität Göttingen, Germany.
Werz
Daniel B
DB