Croatica Chemica Acta, Vol. 86 No. 4, 2013.
Izvorni znanstveni članak
https://doi.org/10.5562/cca2288
Theoretical Study of Hole-Containing Macromolecular Diamond Lattices and Corona-Diamondoid Molecules or their Heteroatomic Derivatives
Alexandru T. Balaban
; Texas A&M University at Galveston, Department of Marine Sciences, 200 Seawolf Parkway, Galveston, TX 77553
Sažetak
By analogy with benzenoids, diamond hydrocarbons (diamondoids for short) can be classified
according to their dualists into catamantanes with acyclic dualists, perimantanes with dualists having
6-membered rings, and coronamantanes having larger rings that are not peripheries of 6-membered ring
aggregates. Coronoid diamond hydrocarbons may be either tridimensional portions of the macromolecular
diamond 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 inner
carbon atoms with dangling bonds may be replaced by heteroatoms (N, O, or S) which might be able to
bind metallic cations with coordinative bonds. A convenient means of structure representation uses dualists
of the diamondoids. The holes may be isolated as are “closed pores” in polymer foams, or they may
communicate forming tunnels as for ‘open pores’ in ‘sponge foams’. A special discussion is reserved for
coronamantane analogs of the quasi-planar coronoids. In these cases the diamondoid is quasi-flat and the
quasi-2D hole or tunnel is accessible on both sides; it may be chiral or achiral. The diamondoid analog of
kekulene is a cyclohexadecamantane C64H64, a challenge for the future. (doi: 10.5562/cca2288)
Ključne riječi
diamondoids; coronamantanes; coronoids; dualists
Hrčak ID:
112758
URI
Datum izdavanja:
16.12.2013.
Posjeta: 1.965 *