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Binding CO 2 by a Cr 8 Metallacrown

The {Cr 8 } metallacrown [CrF(O 2 C t Bu) 2 ] 8 , containing a F‐lined internal cavity, shows high selectivity for CO 2 over N 2 . DFT calculations and absorption studies support the multiple binding of F‐groups to the C‐center of CO 2 (C⋅⋅⋅F 3.190(9)–3.389(9) Å), as confirmed by single‐crystal X‐ra...

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Bibliographic Details
Published in:Angewandte Chemie 2017-05, Vol.129 (20), p.5619-5622
Main Authors: Vitórica‐Yrezábal, Iñigo J., Sava, Daniel Florin, Timco, Grigore A., Brown, Martyn S., Savage, Mathew, Godfrey, Harry G. W., Moreau, Florian, Schröder, Martin, Siperstein, Flor, Brammer, Lee, Yang, Sihai, Attfield, Martin P., McDouall, Joseph J. W., Winpenny, Richard E. P.
Format: Article
Language:English
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Summary:The {Cr 8 } metallacrown [CrF(O 2 C t Bu) 2 ] 8 , containing a F‐lined internal cavity, shows high selectivity for CO 2 over N 2 . DFT calculations and absorption studies support the multiple binding of F‐groups to the C‐center of CO 2 (C⋅⋅⋅F 3.190(9)–3.389(9) Å), as confirmed by single‐crystal X‐ray diffraction.
ISSN:0044-8249
1521-3757
DOI:10.1002/ange.201701726