title: Gas-phase electron diffraction studies of the icosahedral carbaboranes, ortho-, meta- and para-C2B10H12.
abstract: The molecular structures of the three closo-carbaboranes, ortho-, meta- and para-C2B10H12, were experimentally determined using gas-phase electron diffraction (GED). All unique bond distances for ortho and meta carbaboranes were determined experimentally for the first time. For ortho-carbaborane (RG= 0.046), a model with C2v symmetry refined to give bond distances of 1.624(8) A for C-C, 1.093(8)A for C-H and 1.192(3)-1.196(3) A for B-H. For meta-carbaborane (RG= 0.040) a model with C2v symmetry refined to give a CC distance of 2.575(9) A. For para-carbaborane (RG= 0.062) a model with D5d symmetry refined to give a C-B bond distance of 1.698(3) A, B2-B3 of 1.785(1), B2-B7 of 1.774(4) and CC of 3.029(5)A. These GED structures are compared with geometries from other experimental diffraction methods (neutron, X-ray) and ab initio calculations.
authors.affiliation: School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh, UKEH9 3JJ.
authors.forename: Andrew R
authors.initials: AR
authors.lastname: Turner
authors.forename: Heather E
authors.initials: HE
authors.lastname: Robertson
authors.forename: Konstantin B
authors.initials: KB
authors.lastname: Borisenko
authors.forename: David W H
authors.initials: DW
authors.lastname: Rankin
authors.forename: Mark A
authors.initials: MA
authors.lastname: Fox