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Issue 7, 2005
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Gas-phase electron diffraction studies of the icosahedral carbaboranes, ortho-, meta- and para-C2B10H12

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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) Å for C–C, 1.093(8) Å for C–H and 1.192(3)–1.196(3) Å for B–H. For meta-carbaborane (RG = 0.040) a model with C2v symmetry refined to give a C⋯C distance of 2.575(9) Å. For para-carbaborane (RG = 0.062) a model with D5d symmetry refined to give a C–B bond distance of 1.698(3) Å, B(2)–B(3) of 1.785(1), B(2)–B(7) of 1.774(4) and C⋯C of 3.029(5) Å. These GED structures are compared with geometries from other experimental diffraction methods (neutron, X-ray) and ab initio calculations.

Graphical abstract: Gas-phase electron diffraction studies of the icosahedral carbaboranes, ortho-, meta- and para-C2B10H12

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Publication details

The article was received on 03 Dec 2004, accepted on 17 Feb 2005 and first published on 07 Mar 2005


Article type: Paper
DOI: 10.1039/B418276F
Citation: Dalton Trans., 2005,0, 1310-1318

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    Gas-phase electron diffraction studies of the icosahedral carbaboranes, ortho-, meta- and para-C2B10H12

    A. R. Turner, H. E. Robertson, K. B. Borisenko, D. W. H. Rankin and M. A. Fox, Dalton Trans., 2005, 0, 1310
    DOI: 10.1039/B418276F

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