Darstellung, 11B-, 13C-NMR- und Schwingungsspektren von Cs2[B6H5(p-C6H4(NO2))] und Cs2[B6H5(C6H3-l-(CH3)-5-(NO2))] sowie Kristallstruktur von (CH2Py2)[B6Cl5(p-C6H4(NO2))]·CH3CN / Preparation, 11B , 13C-NMR and Vibrational Spectra of Cs2[B6H5(p-C6H4(NO2))], Cs2[B6H5 (C6H3-1 -(CH3 )-5-(NO2))] and Crystal Structure of (CH2Py2)[B6Cl5(p-C6H4(NO2))]·CH3CN

Abstract

The first aryl derivatives of c/oso-hexahydrohexaborate are formed by reaction of [B6H6]2- with 1-bromo-4-nitrobenzene and 2-bromo-5-nitrotoluene in acetonitrile at 80 °C. Cs2[B6H5- (1,4-C6H4(NO2))] and Cs2[B6H5(C6H3-1-(CH3)-5-(NO2))] can be isolated by ion exchange chromatography on diethylaminoethyl (DEAE) cellulose. Further treatment with /V-chlorosuccinimide yields the perhalogenated derivative (CH2Py2)[B6Cl5(1,4-Ph(NO2))]CH3CN which has been characterized by X-ray diffraction analysis (orthorhombic, space group P2( 2,2t, a = 9.810(4), b - 14.412(3), c - 18.586(9) A, Z = 4). The 11B NMR spectra of all compounds are consistent with a monosubstituted B6-cluster. The IR and Raman spectra exhibit characteristic BB, BH, CH, CC and NO vibrations, respectively.