title: Squaroglitter: A 3,4-Connected Carbon Net.
abstract: 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.
authors.affiliation: Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
authors.forename: Dasari L V K
authors.initials: DL
authors.lastname: Prasad
authors.affiliation: Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
authors.forename: Nicholas M
authors.initials: NM
authors.lastname: Gerovac
authors.affiliation: Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) , Buenos Aires, Argentina.|INIFTA, Universidad Nacional de La Plata , Buenos Aires, Argentina.
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Bucknum
authors.affiliation: Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853, United States.
authors.forename: Roald
authors.initials: R
authors.lastname: Hoffmann