Theoretical calculations are presented on a new hypothetical 3,4-connected
carbon net (called squaroglitter) incorporating 1,4 cyclohexadiene units. The structure has
tetragonal space group P4/mmm (No. 123) symmetry. The optimized geometry shows normal
distances, except for some elongated bonds in the cyclobutane ring substructures in the
network. Squaroglitter has an indirect bandgap of about 1.0 eV. The hypothetical lattice, whose
density is close to graphite, is more stable than other 3,4-connected carbon nets. A relationship
to a (4,4)nanotube is explored, as is a potential threading of the lattice with metal needles.
http://dx.doi.org/10.1021/ct4004367