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Tailoring Metal–Organic Frameworks for CO2 Capture: The Amino Effect

Authors

  • Dr. Jenny G. Vitillo,

    Corresponding author
    1. Dipartimento di Chimica IFM and NIS Centre of Excellence, Università di Torino, INSTM UdR Università, Via Pietro Giuria 7, 10125 Torino (Italy), Fax: (+39) 0116707855
    • Dipartimento di Chimica IFM and NIS Centre of Excellence, Università di Torino, INSTM UdR Università, Via Pietro Giuria 7, 10125 Torino (Italy), Fax: (+39) 0116707855
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  • Dr. Marie Savonnet ,

    1. IFP Energies Nouvelles, BP n°3, 69360, Solaize (France)
    2. IRCELYON, University of Lyon 1, CNRS, 2 avenue Albert Einstein, 69626, Villeurbanne Cedex (France)
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  • Dr. Gabriele Ricchiardi,

    1. Dipartimento di Chimica IFM and NIS Centre of Excellence, Università di Torino, INSTM UdR Università, Via Pietro Giuria 7, 10125 Torino (Italy), Fax: (+39) 0116707855
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  • Prof. Silvia Bordiga

    1. Dipartimento di Chimica IFM and NIS Centre of Excellence, Università di Torino, INSTM UdR Università, Via Pietro Giuria 7, 10125 Torino (Italy), Fax: (+39) 0116707855
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Abstract

Carbon dioxide capture from processes is one of the strategies adopted to decrease anthropogenic greenhouse gas emissions. To lower the cost associated with the regeneration of amine-based scrubber systems, one of the envisaged strategies is the grafting of amines onto high-surface-area supports and, in particular, onto metal–organic frameworks (MOFs). In this study, the interaction between CO2 and aliphatic and aromatic amines has been characterized by quantum mechanical methods (MP2), focusing attention both on species already reported in MOFs and on new amine-based linkers, to inspire the rational synthesis of new high-capacity MOFs. The calculations highlight binding-site requisites and indicate that CO2 vibrations are independent of the adsorption energy and monitoring them in probe-molecule experiments is not a suitable marker of efficient adsorption.

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