✍ Scribed by J. Müller; P. Paetzold; B. Steuer; W. Preetz; B. Wrackmeyer
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Geometry, vibrational and NMR spectra of the icosahedral aza-closo-dodecaborane MeNB 11 H 11 are calculated by ab initio methods. The results are compared with experimental data. They are in accord with local C 5v symmetry of the cluster unit and local C 3v symmetry of the methyl group. The boron atoms B7±B11 are coupled to B12 by the small constant 1 J ( 11 B, 11 B) = 12 Hz.
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Preparation, 11B NMR, Vibrational Spectra, and Crystal Structure of (P( C6H5)4)2(1,10-(O2N)2B10H8). -The title compound (I) is obtained in ≈7% yield in addition to the known compounds (PPh4)3(B10H9(NO)B10H9) (≈12%), (PPh4)(1-N2B10H9) (≈9%); and (PPh4)2(1-(O2N)B10H9) (22%) and separated by ion excha