Synthesis and structure of halogen derivatives of 9-dimethylsulfonium-7,8-dicarba-nido-undecaborane [9-Me2S-7,8-C2B9H11]

Structure of 6,11-dichloro-9-dimethylthio-7,8-dicarba-nido-undecaborane [6,11-Cl2-9-SMe2-7,8-C2B9H9]

“…The main crystallographic and experimental data on 7 are given in Table 1; the bond lengths and valence angles are shown in Tables 2 and 3, respectively. (2) B(4)-C (8) 1.740(2) C(7)-C (8) 1.551(2) S(1)-C (2) 1.796 (2) B(2)-C (7) 1.714 (2) B (4) (2) 1.883(3) C(8)-B (9) 1.600 (2) 1.598(3) C(7)-B (11) 1.618 (2) 1.624(3) B(9)-B (10) 1.772 (2) 1.782(4) B(11)-B (10) 1.860 (2) 1.860(4) B(2)-C (7) 1.714 (2) 1.709(3) B(2)-B (11) 1.815 (2) 1.824(4) B(6)-B (11) 1.788 (2) 1.782(4)…”

“…The interest towards derivatives of 7,8-dicarba-nido-undecaborate(-1) anion that contain substituents of different nature in positions B (9) and B(11) is constantly growing because of the prospects of their use for the boron neutron capture therapy of cancer [1,2], roentgen therapy [3,4], and for the synthesis of metallacarboranes, which are used in the UNEX technology for the treatment of high-level nuclear waste [5][6][7][8].…”

“…Previously, we obtained (by halogenation of [9-SMe 2 -7,8-С 2 В 9 Н 11 ] (1)) a series of В(9,11)-disubstituted undecaboranes [11-X-9-SMe 2 -7,8-С 2 В 9 Н 11 ] (X = Cl (2), Br (3), and I (4)) [9] and assigned the signals in the 11 B NMR spectra [10]. It was found that the reaction of bromination with elemental bromine at an equimolar ratio of the reactants results in a mixture of monobromo derivatives: -SMe 2 -7,8-С 2 В 9 Н 10 ] (3) as a major product and [6-Br-9-SMe 2 -7,8-С 2 В 9 Н 10 ] (5) as a minor product.…”

“…The effect of excess bromine in methylene chloride on 1 results in the introduction of two bromine atoms into the carborane cluster: one inо the open pentagonal plane С 2 В 3 and the other into the equatorial position В(6) to form dibromide [6,8-С 2 В 9 Н 9 ] (6). Chlorination of 1 with N-chlorosuccinimide in acetonitrile while boiling leads to an individual monochloro derivative -SMe 2 -7,8-С 2 В 9 Н 10 ] (2) [9]. The structure of the molecules of compounds 3-6 was determined by single-crystal X-ray diffraction [9].…”

“…Chlorination of 1 with N-chlorosuccinimide in acetonitrile while boiling leads to an individual monochloro derivative -SMe 2 -7,8-С 2 В 9 Н 10 ] (2) [9]. The structure of the molecules of compounds 3-6 was determined by single-crystal X-ray diffraction [9].…”