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Boron-11 and proton nuclear magnetic resonance study of anti-B<sub>18</sub>H<sub>22</sub>and its anions, anti-[B<sub>18</sub>H<sub>21</sub>]<sup>–</sup>and anti-[B<sub>18</sub>H<sub>20</sub>]<sup>2–</sup>. The crystal and molecular structure of [NMe<sub>4</sub>]<sub>2</sub>[anti-B<sub>18</sub>H<sub>20</sub>]
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1988
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Borane AnionInorganic ChemistryBoron NitrideEngineeringBiochemistryPhysicsBridging Hydrogen AtomsNatural SciencesMain Group ChemistryQuantum ChemistryChemistrySupramolecular ChemistryNeutral Borane Anti-b18h22Molecular ChemistryCrystallographyBorophene
The neutral borane anti-B18H22(1), and its mono- and di-anions, in [C10H6(NMe2)2H][anti-B18H21](2) and [NEt4]2[anti-B18H20](3) respectively, have been characterized by two-dimensional [11B–11B]-COSY, [1H–1H]-COSY, and 1H-{11B(selective)} n.m.r. spectroscopy, and by [1H–11B] shift correlations. Deprotonation of compound (1) is shown to occur with the loss of the bridging hydrogen atoms associated with the conjuncto-boron atoms. A single-crystal X-ray diffraction analysis of [NMe4]2[anti-B18H20](4) showed the crystals to be monoclinic, space group P21/c, with a= 693.6(1), b= 1 601.6(3), c= 1 131.6(2) pm, β= 102.07(1)°, and Z= 2. The borane anion lies on the crystallographic centre of symmetry and the solid-state structure confirms that obtained from n.m.r. spectroscopy.