title: Planar tetracoordinate carbons in cyclic semisaturated hydrocarbons.
abstract: A series of planar tetracoordinate carbon molecules in cyclic semisaturated hydrocarbons resulting from the combination of the C5(2-) skeleton with saturated hydrocarbon fragments is reported. The electronic stabilization and the bonding situation are studied through the analyses of molecular orbitals and the electron localization function. The magnetic properties are also revised, giving particular attention to the induced magnetic field. These systems are the first semisaturated cycles containing a planar tetracoordinate carbon stabilized only by electronic factors.
authors.affiliation: Facultad de Química, Universidad de Guanajuato, Noria Alta s/n C.P. 36050, Guanajuato, Gto. México.
authors.forename: Nancy
authors.initials: N
authors.lastname: Perez-Peralta
authors.forename: Mario
authors.initials: M
authors.lastname: Sanchez
authors.forename: Jesus
authors.initials: J
authors.lastname: Martin-Polo
authors.forename: Rafael
authors.initials: R
authors.lastname: Islas
authors.forename: Alberto
authors.initials: A
authors.lastname: Vela
authors.forename: Gabriel
authors.initials: G
authors.lastname: Merino
mesh_terms: D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D004583:Electrons; D006844:Hydrocarbons, Cyclic / Q000737:chemistry*; D008280:Magnetics; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D011789:Quantum Theory
chemical_list: D006844:Hydrocarbons, Cyclic; D002244:Carbon