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Issue 47, 2015
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The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform

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Abstract

Two rht-type metal–organic frameworks (MOFs) based upon the tetrazolate moiety and pyrazolate moiety, respectively, have been investigated for carbon dioxide (CO2) adsorption and selective adsorption of CO2 over CH4, which shows that the rht-MOF featuring the pyrazolate moiety demonstrates superior performances compared to the rht-MOF based on the tetrazolate moiety. In spite of more exposed nitrogen atoms in the tetrazolate-based rht-MOF, the counter-intuitive observations of CO2 capture in the two rht-MOFs were interpreted by computational studies, which reveal that the local electric field favours more than the richness of exposed nitrogen atoms for the interactions with CO2 molecules.

Graphical abstract: The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform

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Publication details

The article was received on 29 Mar 2015, accepted on 06 May 2015 and first published on 07 May 2015


Article type: Communication
DOI: 10.1039/C5CC02573G
Citation: Chem. Commun., 2015,51, 9636-9639
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    The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform

    W. Gao, T. Pham, K. A. Forrest, B. Space, L. Wojtas, Y. Chen and S. Ma, Chem. Commun., 2015, 51, 9636
    DOI: 10.1039/C5CC02573G

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