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By analogy with benzenoids, diamond hydrocarbons (diamondoids for short) can be classifiedaccording to their dualists into catamantanes with acyclic dualists, perimantanes with dualists having6-membered rings, and coronamantanes having larger rings that are not peripheries of 6-membered ringaggregates. Coronoid diamond hydrocarbons may be either tridimensional portions of the macromoleculardiamond lattice with holes examined in an earlier article and here, or hollow smaller molecules(coronamantanes) also discussed in the present paper, with 3D or quasi-2D holes. In the case of lattices,the effect of external hydrogen atoms is negligible but it cannot be ignored in the case of coronamantanes.Both the outer and inner dangling bonds may be connected with hydrogen atoms, or some of the innercarbon atoms with dangling bonds may be replaced by heteroatoms (N, O, or S) which might be able tobind metallic cations with coordinative bonds. A convenient means of structure representation uses dualistsof the diamondoids. The holes may be isolated as are “closed pores” in polymer foams, or they maycommunicate forming tunnels as for ‘open pores’ in ‘sponge foams’. A special discussion is reserved forcoronamantane analogs of the quasi-planar coronoids. In these cases the diamondoid is quasi-flat and thequasi-2D hole or tunnel is accessible on both sides; it may be chiral or achiral. The diamondoid analog ofkekulene is a cyclohexadecamantane C64H64, a challenge for the future. (doi: 10.5562/cca2288

Theoretical Study of Hole-Containing Macromolecular Diamond Lattices and Corona-Diamondoid Molecules or their Heteroatomic Derivatives