Regioselective Monoiodination of Carba‐ closo ‐dodecaborates: M[7‐I‐12‐X‐ closo ‐CB 11 H 10 ] (M = Cs + , [Et 4 N] + ; X = F, Cl, Br, OH)

Selective monoiodination of a series of carba‐ closo ‐dodecaborates with a halogen atom or a hydroxy substituent bonded to the antipodal boron atom resulted in salts of the novel anions [7‐I‐12‐X‐ closo ‐CB 11 H 10 ] – [X = F ( 1 ), Cl ( 2 ), Br ( 3 ), OH ( 4 )]. These anions were isolated as [Et 4 N] + salts and converted into the Cs + salts. The novel compounds were studied by multi NMR spectroscopy, mass spectrometry (MALDI), and elemental analysis. The solid‐state structure of Cs[7‐I‐12‐HO‐ closo ‐CB 11 H 10 ] · (CH 3 ) 2 CO was determined by single‐crystal X‐ray diffraction. The assignment of the NMR spectroscopic data and the discussion of structural properties was supported by the results of the DFT calculations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)