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

doi:10.1002/anie.201701726

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 language	English
Journal	Angewandte Chemie - International Edition
Volume	56
Issue number	20
Early online date	13 Apr 2017
DOIs	https://doi.org/10.1002/anie.201701726
Publication status	Published - 2017

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Cr8CO2_revision_v2Accepted author manuscript, 2.01 MB

CCDC 1528686: Experimental Crystal Structure Determination
Vitorica-Yrezabal, I. (Contributor), Sava, D. (Contributor), Timco, G. (Contributor), Brown, M. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Moreau, F. (Contributor), Schroder, M. (Contributor), Siperstein, F. (Contributor), Brammer, L. (Contributor), Yang, S. (Contributor), Attfield, M. (Contributor), Mcdouall, J. (Contributor) & Winpenny, R. (Contributor), Cambridge Crystallographic Data Centre, 20 Jan 2017
DOI: 10.5517/ccdc.csd.cc1n9qg4, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1n9qg4&sid=DataCite
Dataset
CCDC 1528687: Experimental Crystal Structure Determination
Vitorica-Yrezabal, I. (Contributor), Sava, D. (Contributor), Timco, G. (Contributor), Brown, M. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Moreau, F. (Contributor), Schroder, M. (Contributor), Siperstein, F. (Contributor), Brammer, L. (Contributor), Yang, S. (Contributor), Attfield, M. (Contributor), Mcdouall, J. (Contributor) & Winpenny, R. (Contributor), Cambridge Crystallographic Data Centre, 20 Jan 2017
DOI: 10.5517/ccdc.csd.cc1n9qh5, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1n9qh5&sid=DataCite
Dataset
CCDC 1528689: Experimental Crystal Structure Determination
Vitorica-Yrezabal, I. (Contributor), Sava, D. (Contributor), Timco, G. (Contributor), Brown, M. (Contributor), Savage, M. (Contributor), Godfrey, H. (Contributor), Moreau, F. (Contributor), Schroder, M. (Contributor), Siperstein, F. (Contributor), Brammer, L. (Contributor), Yang, S. (Contributor), Attfield, M. (Contributor), Mcdouall, J. (Contributor) & Winpenny, R. (Contributor), Cambridge Crystallographic Data Centre, 2017
DOI: 10.5517/ccdc.csd.cc1n9qk7, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1n9qk7&sid=DataCite
Dataset

Cite this

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title = "Binding CO2 by a Cr8 metallacrown",

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) {\AA}), as confirmed by single-crystal X-ray diffraction.",

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

year = "2017",

doi = "10.1002/anie.201701726",

language = "English",

volume = "56",

journal = "Angewandte Chemie. International Edition",

issn = "1433-7851",

publisher = "John Wiley & Sons Ltd",

number = "20",

}

TY - JOUR

T1 - Binding CO2 by a Cr8 metallacrown

AU - Vitorica-Yrezabal, Inigo

AU - Sava, Daniel

AU - Timco, Grigore

AU - Brown, Martyn

AU - Savage, Mathew

AU - Godfrey, Harry

AU - Moreau, Florian

AU - Schroder, Martin

AU - Siperstein, Flor

AU - Brammer, Lee

AU - Yang, Sihai

AU - Attfield, Martin

AU - Mcdouall, Joseph

AU - Winpenny, Richard

PY - 2017

Y1 - 2017

N2 - 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.

AB - 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.

U2 - 10.1002/anie.201701726

DO - 10.1002/anie.201701726

M3 - Article

VL - 56

JO - Angewandte Chemie. International Edition

JF - Angewandte Chemie. International Edition

SN - 1433-7851

IS - 20

ER -

Binding CO2 by a Cr8 metallacrown

Abstract

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Datasets

CCDC 1528686: Experimental Crystal Structure Determination

CCDC 1528687: Experimental Crystal Structure Determination

CCDC 1528689: Experimental Crystal Structure Determination

Cite this