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Recently, the first heptacoordinate disilane [(MesCS 2 ) 2 MeSi] 2 1 was synthesized and shown to have a unique structure by X-ray analysis. Each of the silicon atoms is surrounded by three nonbonded thiobenzoylthio groups. We theoretically investigated the origins of the unusual geometry of 1 containing multiple hypercoordinations. The model compound [(HCS 2 ) ...
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