Počet záznamů: 1  

Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes

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    0469318 - ÚOCHB 2017 RIV DE eng J - Článek v odborném periodiku
    Fanfrlík, Jindřich - Holub, Josef - Růžičková, Z. - Řezáč, Jan - Lane, P. D. - Wann, D. A. - Hnyk, Drahomír - Růžička, A. - Hobza, Pavel
    Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes.
    ChemPhysChem. Roč. 17, č. 21 (2016), s. 3373-3376. ISSN 1439-4235
    Grant CEP: GA ČR(CZ) GBP208/12/G016; GA ČR(CZ) GA15-05677S
    Institucionální podpora: RVO:61388963 ; RVO:61388980
    Klíčová slova: bromine * carboranes * halogen bonds * sigma holes * X-ray crystal structure
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie; CA - Anorganická chemie (UACH-T)
    Impakt faktor: 3.075, rok: 2016

    Halogen bonds are a subset of noncovalent interactions with rapidly expanding applications in materials and medicinal chemistry. While halogen bonding is well known in organic compounds, it is new in the field of boron cluster chemistry. We have synthesized and crystallized carboranes containing Br atoms in two different positions, namely, bound to C-and B-vertices. The Br atoms bound to the C-vertices have been found to form halogen bonds in the crystal structures. In contrast, Br atoms bound to B-vertices formed hydrogen bonds. Quantum chemical calculations have revealed that halogen bonding in carboranes can be much stronger than in organic architectures. These findings open new possibilities for applications of carboranes, both in materials and medicinal chemistry.
    Trvalý link: http://hdl.handle.net/11104/0267126