笼型硫属元素：四配位氧鎓二阳离子及其同系物的理论研究。
Caged chalcogens: theoretical studies on a tetracoordinated oxonium dication and its higher homologues.
机构信息
Institut für Organische und Biomolekulare Chemie der Georg-August-Universität Göttingen, Germany.
出版信息
Org Lett. 2010 Feb 19;12(4):772-5. doi: 10.1021/ol902904z.
PMID:20085316
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.
摘要
四价硫属元素离子利用碳氢笼，通过理论手段，利用 DFT 和 MP2 计算，研究了它们的几何形状和电子结构。在所有情况下——即使是氧——我们预测的硫属元素由四个碳原子配位的分子实体在热力学上是稳定的。
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