A Stable Derivative of the Global Minimum on the Si₆H₆ Potential Energy Surface

Abstract

Silicon shuffle minimizes energy: Isomerization of the dismutational isomer of hexasilabenzene (see structure; R=2,4,6-iPr3C6H2) produces the Si-bridged propellane, a stable representative of the global minimum on the Si6H6 energy surface, which, despite its mass, can be distilled without decomposition. Its halogenation proceeds in the bridgehead positions. Unprecedented 29Si NMR data of the new Si6R6 isomer is explained with magnetically induced cluster currents.