nido-carborane [9-MeS-7,8-C 2B 9H 11] -. Some evidences of BH···X hydride-halogen bonds in 9- XCH 2(Me)S-7,8-C 2B 9H 11 (X?= Cl, Br, I)]]>

摘要

AbstractConvenient method of synthesis of 9-methylthio-7,8-nido-carborane [9-MeS-7,8-C2B9H11]-based on demethylation of the dimethylsulfonium derivative 9-Me2S-7,8-C2B9H11with sodium amide in toluene was developed. A series of alkylmethylsulfonium derivatives ofnido-carborane containing heteroatoms with lone electron pairs at α-position of alkyl were prepared 9-XCH2(Me)S-7,8-C2B9H11(X?=?Cl, Br, I, OMe) by alkylation of [9-MeS-7,8-C2B9H11]-. The11B NMR spectra of these compounds demonstrate splitting signals corresponding to B(5) and B(10) atoms that can be explained by the weak intramolecular B-H···X interactions in the diastereomers containing alkyl groups directed downwards and upwards relatively to thenido-carborane pentagonal face. The existence of such interactions was supported by quantum chemical calculations.Graphical abstract