Caged Chalcogens: Theoretical Studies on a Tetracoordinated Oxonium Dication and Its Higher Homologues
journal contributionposted on 19.02.2010 by Tobias F. Schneider, Daniel B. Werz
Any type of content formally published in an academic journal, usually following a peer-review process.
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 caseseven for oxygenwe predict thermodynamically stable molecular entities with chalcogens coordinated by four carbon atoms.