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    Item type:Publication, Access status: without files ,
    Nucleophilic fluorination of closo-decaborate iodonium derivatives
    (American Chemical Society (ACS), 2026-06-04)
    Neumolotov, Nikolay
    ;
    Korotenko, Vasilii
    ;
    Voinova, Vera
    ;
    Klyukin, Ilya N.
    ;
    Selivanov, Nikita
    New fluoroderivatives of the closo-decaborate anion with the composition [1,10-B₁₀H₈FX]ⁿ⁻ (where X = IPh, Pyridine, I, Br, Cl, F, OH, CN) as well as [1-F, 6-NH₃B₁₀H₈]⁻ have been obtained. It was found that uncharged bisphenyliodonium derivative [1,10-(IPh)₂B₁₀H₈]⁰ undergoes a nucleophilic substitution with the [K(18-crown-6)]⁺F⁻ complex to form monofluoro derivative [1-IPh, 10-FB₁₀H₈]⁻, whereas the anionic Bu₄N[1-B₁₀H₉Ph] does not react with the complex. This charge-dependent reactivity, as well as solvent effects, was explained using DFT and QTAIM calculations, revealing the crucial role of iodine sigma-hole availability and competitive solvation. The structures of the key products were confirmed by multinuclear NMR spectroscopy and single-crystal X-ray diffraction.
    Publicationtype: Journal Article
      17
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    Item type:Publication, Access status: with files ,
    Reaction systems for bubbly flows
    (Wiley-VCH, 2018-05-24)
    Paul, Melanie
    ;
    Strassl, Florian
    ;
    Hoffmann, Alexander
    ;
    Hoffmann, Marko
    ;
    Schlüter, Michael
    Reactive bubbly flows are at the heart of multiphase flows which are a major topic in chemical engineering since many bulk chemicals are produced in bubbly flows. However, the factors determining product yield and selectivity are often subject of complicated mass transfer effects. Herein, we describe the latest developments in the detection of mass transfer effects in bubbly flows. Coordination chemistry has given new impulses to this topic due to the possibility to synthesise tailored complex systems for the detection of O2 and NO with various time- and space-resolved techniques. For each chemical reaction system, a background section is summarised to allow the reader to get an overview of the different systems.
    Publicationtype: Journal Article
    Scopus© Citations 19  412  568
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    Item type:Publication, Access status: without files ,
    Olefin/Paraffin Separation Potential of ZIF-9 and ZIF-71: A Combined Experimental and Theoretical Study
    (2016)
    Bendt, Stephan
    ;
    Hovestadt, Maximilian
    ;
    Böhme, Ulrike
    ;
    Paula, Carolin
    ;
    Döpken, Merle
    Two zeolitic imidazolate frameworks, ZIF-9 and ZIF-71, are evaluated by adsorption experiments and molecular simulations with respect to their potential towards olefin/paraffin separation. Pure component adsorption isotherms are measured and compared to grand-canonical Monte–Carlo (GCMC) simulations. The experiments show that the adsorption of the paraffin is favorable over the olefin in both structures. Whereas the isotherms are predicted well by simulations for ZIF-71, in case of ZIF-9 only the saturation loading could be computed accurately because the latter material seems to undergo a so-called gate-opening effect upon adsorption of guest molecules; ZIF-71 does not show this effect. Both structures show promising results with respect to olefin/paraffin separation.
    Publicationtype: Journal Article
      135