title: [1-H2N-CB11F11]---synthesis and reactions of a functionalized fluorinated carbadodecaborate anion.
abstract: In anhydrous hydrogen fluoride, K[1-H2N-CB11H11] is fluorinated with elemental fluorine to produce K[1-H2N-CB11F11]. Under strong alkaline conditions, two fluorine atoms of the [1-H2N-CB11F11]- anion are regioselectively exchanged, yielding the [1-H2N-4,6-(HO)2-CB11F9]- anion via [1-H2N-6-HO-CB11F10]- as an intermediate. Both hydroxycarborate anions were isolated as [Ph4P]+ salts. All of the species were characterized by IR, Raman, and multi-NMR spectroscopy, thermal analysis (DSC) as well as by mass spectrometry (MALDI). The assignment of the NMR signals was supported by DFT calculations. Solid-state structures of K[1-H2N-CB11F11], [BzPh3P][1-H2N-CB11F11], [Ph4P][1-H2N-4,6-(HO)2-CB11F9], [Ph4P][1-H2N-6-HO-CB11F10], and [BzPh3P][1-H2N-CB11H11] were determined by single-crystal X-ray diffraction.
authors.affiliation: Institut für Anorganische Chemie und Strukturchemie II, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, 40225 Düsseldorf, Germany. maik.finze@uni-duesseldorf.de
authors.forename: Maik
authors.initials: M
authors.lastname: Finze
authors.forename: Guido J
authors.initials: GJ
authors.lastname: Reiss
authors.forename: Manfred
authors.initials: M
authors.lastname: Zähres
mesh_terms: D000838:Anions; D001896:Boron Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D002152:Calorimetry, Differential Scanning; D006858:Hydrofluoric Acid / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011789:Quantum Theory; D013057:Spectrum Analysis; D014961:X-Ray Diffraction
chemical_list: D000838:Anions; D001896:Boron Compounds; C119788:dodecaborate; D006858:Hydrofluoric Acid