Planar tetracoordinate carbons in cyclic semisaturated hydrocarbons.
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.
Perez-Peralta
Nancy
N
Facultad de Química, Universidad de Guanajuato, Noria Alta s/n C.P. 36050, Guanajuato, Gto. México.
Sanchez
Mario
M
Martin-Polo
Jesus
J
Islas
Rafael
R
Vela
Alberto
A
Merino
Gabriel
G
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
D006844:Hydrocarbons, Cyclic; D002244:Carbon