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Charge distribution within hypercarbon-halogenated 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes, (X = F, Cl, Br, I): A dipole moment and computational study
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SYSNO ASEP 0357021 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Charge distribution within hypercarbon-halogenated 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes, (X = F, Cl, Br, I): A dipole moment and computational study Author(s) Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
Všetečka, V. (CZ)
Drož, L. (CZ)Source Title Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860
Roč. 978, 1-3 (2010), s. 246-249Number of pages 4 s. Language eng - English Country NL - Netherlands Keywords halogens ; carboranes ; dipole moments Subject RIV CA - Inorganic Chemistry R&D Projects LC523 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40320502 - UACH-T (2005-2011) UT WOS 000281083300038 DOI 10.1016/j.molstruc.2010.02.027 Annotation Vector analyses of experimental dipole moments of a series of halogenated 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes, (X = F, Cl, Br, I) combined with theoretical calculations show that there are intramolecular contacts between heavy halogens (Br and I) and the benzene ring, whereas this attraction is absent for F and Cl. (C) 2010 Elsevier B.V. All rights reserved. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2011
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