Author/Authors :
Weber، نويسنده , , Klaus and Voss، نويسنده , , Thorsten and Heimbach، نويسنده , , Dirk and Weiler، نويسنده , , Andreas and Keller، نويسنده , , Manfred and Wِrth، نويسنده , , Jürgen and Knothe، نويسنده , , Lothar and Exner، نويسنده , , Kai and Prinzbach، نويسنده , , Horst، نويسنده ,
Abstract :
(2+2)-Dimerization of unsaturated, highly pyramidalized dodecahedranes (Φ = 43–45°) is explored as a route to C40-cage molecules and non-classical ions derived thereby. The cycloadducts (X-ray structure) formed under vigorous conditions either in solution or in the solid phase above 300 °C did not undergo 2σ → 2π isomerization. The MS fragmentation patterns, in line with calculations (B3LYP/6-31G*), suggest the formation of ‘open’ C40 dications.
Keywords :
pyramidalization , Dodecahedrenes , dimerization , Cages , X-ray structures , Calculations
