Selective adsorption of CO2 in TAMOF-1 for the separation of CO2/CH4 gas mixtures

<p>Additional raw data files for manuscript "Selective adsorption of CO2 in TAMOF-1 for the separation of CO2/CH4 gas mixtures" by&nbsp;</p> <p>Santiago Capelo-Avil&eacute;s,^&dagger;a,b Mabel de Fez-Febr&eacute;,^{&dagger;&Dagger;a,b} Salvador R. G. Balestra,^&sect;c Juanjo Cabezas-Gim&eacute;nez,^∆a,b Anton Vidal-Ferran,^d,e Jes&uacute;s Gonz&aacute;lez-Cobos,^&para;a Vanesa Lillo,^a Oscar Fabelo,^f Eduardo C. Escudero-Ad&aacute;n,^a Larry R. Falvello,^g Jos&eacute; B. Parra,^h Paolo Rumori,ⁱ Gemma Turnes-Palomino,ⁱ Carlos Palomino-Cabello,ⁱ Stefano Giancola,*^j Sofia Calero*^k and Jose Ramon Galan-Mascaros*^a,d</p> <p>abstract: TAMOF-1 is a robust, highly porous metal&ndash;organic framework built from Cu²⁺ centers linked by a <em>L</em>-histidine derivative. Thanks to its high porosity and homochirality, TAMOF-1 has shown interesting molecular recognition properties, being able to resolve racemic mixtures of small organic molecules in liquid solution. Now, we have discovered that TAMOF-1 also offers outstanding performance as solid adsorbent for CO₂ physisorption, offering record CO₂ adsorption capacity (&gt; 3 mmol g^&ndash;1) with excellent CO₂/CH₄ selectivity (&gt; 50). We have identify the key interactions of CO₂ within the TAMOF-1 framework by a combination of structural (neutron diffraction), spectroscopic and theoretical analyses which conclude a dual-site adsorption mechanism with the majority of adsorbed CO₂ molecules occupying the empty voids in the TAMOF-1 channels without strong, directional supramolecular interactions. This dominant very weak binding opens the unique possibility of low energy regeneration process for convenient CO₂ purification, since it can be recovered at very high purity in just ione step at ambient, mild conditions. These features identify TAMOF-1 as a viable solid-state adsorbent for the realization of low-cost biogas upgrading.</p> <div> <p>^a.Institute of Chemical Research of Catalonia (ICIQ-CERCA), The Barcelona Institut of Science and Technology (BIST), Av. Pa&iuml;sos Catalans 16, Tarragona E-43007, Spain.</p> <p>^b.Departament de Qu&iacute;mica F&iacute;sica i Inorg&agrave;nica, Universitat Rovira i Virgili, Marcel.l&iacute; Domingo s/n, Tarragona E-43007, Spain.</p> <p>^c.Centro de Nanociencia y Tecnolog&iacute;as Sostenibles (CNATS), Departamento de Sistemas F&iacute;sicos, Qu&iacute;micos y Naturales, Universidad Pablo de Olavide, Ctra. Utrera km 1, ES-41013 Sevilla, Spain.</p> <p>^d.ICREA, Passeig Llu&iacute;s Companys, 23, Barcelona E-08010, Spain.</p> <p>^e.Department of Inorganic and Organic Chemistry and the Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona (UB), 08028 Barcelona, Spain.</p> <p>^f.Institut Laue-Langevin, 71 Avenue des Martyrs, 38000, Grenoble, France.</p> <p>^g.Instituto de Nanociencia y Materiales de Arag&oacute;n (INMA) and Departamento de Qu&iacute;mica Inorg&aacute;nica, CSIC-Universidad de Zaragoza, Zaragoza 50009, Spain</p> <p>^h.Instituto de Ciencia y Tecnolog&iacute;a del Carbono, INCAR-CSIC, Francisco Pintado Fe 26, 33011, Oviedo, Spain.</p> <p>^i.&nbsp;Departamento de Qu&iacute;mica, Universidad de las Islas Baleares, Cra. de Valldemossa km 7.5, 07122, Palma de Mallorca, Spain.</p> <p>^j.&nbsp;Orchestra Scientific S.L. Av. Pa&iuml;sos Catalans 16, Tarragona E-43007, Spain.</p> <p>^k.Materials Simulation and Modelling, Department of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands.</p> <p>&dagger; These authors contributed equally to this work.</p> <p>&Dagger; Present address:Arcamo Controls, S. A. Juan Esplandi&uacute; 15, 28007 Madrid, Spain.</p> <p>&sect; Present address:&Aacute;rea de F&iacute;sica Te&oacute;rica, Departamento de F&iacute;sica At&oacute;mica, Molecular y Nuclear, Universidad de Sevilla, Av. Reina Mercedes s/n, Seville, Spain.</p> <p>∆ Present address:Hipra Scientific, S.L.U., Av. La Selva 135, 17170 Amer, Spain.</p> <p>&para; Present address:Institut de Recherches sur la Catalyse et l&rsquo;Environnement de Lyon, UMR 5256, CNRS, Universit&eacute; Claude Bernard Lyon 1, 2 Avenue A. Einstein, 69626 Villeurbanne, France.</p> </div>