Binding CO2 by a Cr8 metallacrown

Inigo Vitorica-Yrezabal, Daniel Sava, Grigore Timco, Martyn Brown, Mathew Savage, Harry Godfrey, Florian Moreau, Martin Schroder, Flor Siperstein, Lee Brammer, Sihai Yang, Martin Attfield, Joseph Mcdouall, Richard Winpenny

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    Abstract

    The {Cr8} metallacrown [CrF(O2CtBu)2]8, containing a F-lined internal cavity, shows high selectivity for CO2 over N2. DFT calculations and absorption studies support the multiple binding of F-groups to the C-center of CO2 (C⋅⋅⋅F 3.190(9)–3.389(9) Å), as confirmed by single-crystal X-ray diffraction.
    Original languageEnglish
    JournalAngewandte Chemie - International Edition
    Volume56
    Issue number20
    Early online date13 Apr 2017
    DOIs
    Publication statusPublished - 2017

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