Abstract
A short review of the recent studies aimed at the search for novel stable polyhedral structures engineered by superstruction of the classical parent highly strained but kinetically stable organic predecessors, tetrahedrane, cubane, and dodecahedrane is presented. A series of stable structures B80H20, C80H20, and Al80H20 with tetrahedral B4H, C4H, and Al4H fragments displacing CH vertices of the cubane and dodecahedron scaffolds was computationally designed. In the similar way, the molecules С104H32, В104H32, В64С40H32 and В40С64H32, Al104H32, Si104H32 and Al64Si40H32 representing the supermolecular models of the corresponding crystal structures were constructed on the basis of the diamond crystal lattice in which carbon atoms are replaced by B4, C4, and Al4 and Si4 tetrahedral moieties, respectively. The effect of crystalline packing exerted on the conformation of the non‐rigid molecular structures is discussed by an example of supermolecular modeling of the structural configuration of a ten molecule sampling of a bis‐chelate Ni(II) complex. © 2015 Wiley Periodicals, Inc.
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