The basic expanded network structure of the icosahedral water cluster is mechanically strong, having close to tetrahedrally-positioned bonds, and could be found in the, as yet undiscovered, alkane C280H120; made up of twenty C14 tetrahedral sub-structures. Using the AMBER force-field, the average C-C and C-H bond lengths and bond angles were 1.533 Å (SD 0.014 Å), 1.091 Å (SD 0.0001 Å) and 109.46° (SD 1.47°) respectively.
Interactive structures are given (Chime 12 KB).
There could also be the quarter-structure C70H60 (Chime 12 KB), shown left made up of five C14 tetrahedral sub-structures (the dihedral angle at each edge of a tetrahedron is 70.529°, leaving this structure just 7.356° (2%) short of that required for perfect tetrahedra forming a circle). Using the AMBER force-field, the average C-C and C-H bond lengths and bond angles of C70H60 were 1.534 Å (SD 0.0026 Å), 1.091 Å (SD 0.0002 Å) and 109.47° (SD 0.68°) respectively.
Other derivative fulleranes are also possible such as (from the left below) C100H60 (20 x C5H3 units) based on the inner cluster with a central carbon dodecahedron, C120H72 (24 x C5H3 units) based on the inner cluster with a central carbon tetrakaidecahedron (51262) and C336H144 (24 x C14H6 units) based on the complete tetrakaidecahedron cluster.
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This page was last updated by Martin Chaplin on 22 June, 2008