Unit Subduced Cycle Indices with and without Chirality Fittingness for Ih Group. An Application to Systematic Enumeration of Dodecahedrane Derivatives

Abstract

Abstract Subduction of the coset representations of Ih point group produces tables of unit subduced cycle indices (USCIs) with and without chirality fittingness (CF). These indices are applied to the enumeration of dodecahedrane derivatives with respect to their molecular formulas as well as to their symmetries. The USCIs are effective to the enumeration of such derivatives as having only achiral substituents on the vertices of a dodecahedrane skeleton. On the other hand, the USCI–CFs are used for enumerating dodecahedrane derivatives with achiral and chiral substituents. Substitutions on the edges of the dodecahedrane skeleton are also discussed in terms of the present USCI approach.