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Single\u2010crystal X\u2010ray diffraction analysis and van\u2010der\u2010Waals\u2010corrected density functional theory calculations confirmed the presence of I<jats:sub>2<\/jats:sub> molecules within the pores of <jats:bold>SION\u20108<\/jats:bold> and their interaction with the pyrene\u2010based ligands. The I<jats:sub>2<\/jats:sub>\u2013pyrene interactions in the I<jats:sub>2<\/jats:sub>\u2010loaded <jats:bold>SION\u20108<\/jats:bold> led to a 10<jats:sup>4<\/jats:sup>\u2010fold increase of its electrical conductivity compared to the bare <jats:bold>SION\u20108<\/jats:bold>. Upon adsorption, \u226595\u2009% of I<jats:sub>2<\/jats:sub> molecules were incarcerated and could not be washed out, signifying the potential of <jats:bold>SION\u20108<\/jats:bold> towards the permanent capture of radioactive I<jats:sub>2<\/jats:sub> at room temperature.<\/jats:p>","DOI":"10.1002\/chem.201805073","type":"journal-article","created":{"date-parts":[[2018,11,16]],"date-time":"2018-11-16T07:02:14Z","timestamp":1542351734000},"page":"501-506","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":52,"title":["Incarceration of Iodine in a Pyrene\u2010Based Metal\u2013Organic Framework"],"prefix":"10.1002","volume":"25","author":[{"given":"Andrzej","family":"G\u0142adysiak","sequence":"first","affiliation":[{"name":"Laboratory of Molecular Simulation (LSMO) Institut des Sciences et Ing\u00e9nierie Chimiques (ISIC) \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL Valais)  Rue de l'Industrie 17 1951 Sion Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tu N.","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Simulation (LSMO) Institut des Sciences et Ing\u00e9nierie Chimiques (ISIC) \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL Valais)  Rue de l'Industrie 17 1951 Sion Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mariana","family":"Spodaryk","sequence":"additional","affiliation":[{"name":"Laboratory of Materials for Renewable Energy (LMER) Institut des Sciences et Ing\u00e9nierie Chimiques (ISIC) \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL Valais)  Rue de l'Industrie 17 1951 Sion Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jung\u2010Hoon","family":"Lee","sequence":"additional","affiliation":[{"name":"Molecular Foundry Lawrence Berkeley National Laboratory  Berkeley California 94720 USA"},{"name":"Department of Physics University of California  Berkeley California 94720 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jeffrey B.","family":"Neaton","sequence":"additional","affiliation":[{"name":"Molecular Foundry Lawrence Berkeley National Laboratory  Berkeley California 94720 USA"},{"name":"Department of Physics University of California  Berkeley California 94720 USA"},{"name":"Kavli Energy Nanosciences Institute at Berkeley  Berkeley California 94720 USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andreas","family":"Z\u00fcttel","sequence":"additional","affiliation":[{"name":"Laboratory of Materials for Renewable Energy (LMER) Institut des Sciences et Ing\u00e9nierie Chimiques (ISIC) \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL Valais)  Rue de l'Industrie 17 1951 Sion Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1670-0020","authenticated-orcid":false,"given":"Kyriakos C.","family":"Stylianou","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Simulation (LSMO) Institut des Sciences et Ing\u00e9nierie Chimiques (ISIC) \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL Valais)  Rue de l'Industrie 17 1951 Sion Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2018,12,11]]},"reference":[{"key":"e_1_2_2_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jnucmat.2015.11.038"},{"key":"e_1_2_2_2_1","unstructured":"\u00a0"},{"key":"e_1_2_2_3_2","unstructured":"T.\u2005R. 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