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Electrophilic Halogenation of closo-1,2-C2B8H10.
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SYSNO ASEP 0475171 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Electrophilic Halogenation of closo-1,2-C2B8H10. Author(s) Bakardjiev, Mario (UACH-T) SAI, RID
Růžička, A. (CZ)
Růžičková, Z. (CZ)
Holub, Josef (UACH-T) SAI, RID, ORCID
Tok, Oleg L. (UACH-T) RID, ORCID, SAI
Štíbr, Bohumil (UACH-T) RID, SAI, ORCIDSource Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 56, č. 10 (2017), s. 5971-5975Number of pages 5 s. Language eng - English Country US - United States Keywords molecular-structure ; ortho-carboranes ; spectroscopy Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry R&D Projects GA16-01618S GA ČR - Czech Science Foundation (CSF) Institutional support UACH-T - RVO:61388980 UT WOS 000401593800054 EID SCOPUS 85019485566 DOI 10.1021/acs.inorgchem.7b00627 Annotation Initial studies on electrophilic halogenation of the dicarbaborane closo-1,2-C2B8H10 (1) have been carried out to reveal that the substitution takes place at B7 and B10 vertexes, which are the most removed from the CH positions. The course of the halogenation is strongly dependent on the nature of the halogenation agent and reaction conditions. Individual reactions led to the isolation of the monosubstituted compounds 1,2-C2B8H9-10-X (2) (where X = F, I) and 1,2-C2B8H9-7-X (3) (where X = Cl, I). Disubstituted carboranes 1,2-C2B8H8-7,10-X2 (4) (where X = Cl, Br, I) were obtained under more forcing conditions. Individual halo derivatives were characterized by mass spectrometry and high-field NMR (11B, 1H,13C) spectroscopy combined with two-dimensional [11B-11B]-COSY, 1H{11B(selective)}, and [11B-1H]-correlation NMR techniques. All of the derivatives bearing a halogen substituent in the B10 position exhibit a remarkable antipodal 13C and 1H NMR shielding at the CH1 vertex, increasing in the order H < I < Br < Cl < F. The structures of 1,2-C2B8H8-7,10-X2 derivatives (where X = Cl, I, 4b,d) were established by X-ray diffraction analyses. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2018
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