Abstract
Using the available crystallographic data in combination with DFT calculations we investigate the template effect of adamantane on the self-assembly of a tetrahedron-like complex made of four star-shaped building blocks. The QTAIM analysis reveals the presence of bond paths associated to stabilizing CH−π and H−H interactions. The terminal hydrogen atoms of adamantane do stabilize the electric dipole moments of the intermediate complexes which are likely to be formed along the self-assembly pathway that leads to the formation of the molecular tetrahedron.
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