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They showed good thermal stability both under a N<jats:sub>2<\/jats:sub> atmosphere and in air, with decomposition temperatures peaking up to 663\u2005K for Zn(BPZNO<jats:sub>2<\/jats:sub>). Their crystal structure is characterized by 3D networks with square (M=Co, Zn) or rhombic (M=Cu) channels decorated by polar NO<jats:sub>2<\/jats:sub> groups. As revealed by N<jats:sub>2<\/jats:sub> adsorption at 77\u2005K, they are micro\u2010mesoporous materials with BET specific surface areas ranging from 400 to 900\u2005m<jats:sup>2<\/jats:sup>\u2009g<jats:sup>\u22121<\/jats:sup>. Remarkably, under the mild conditions of 298\u2005K and 1.2\u2005bar, Zn(BPZNO<jats:sub>2<\/jats:sub>) adsorbs 21.8\u2005wt\u2009% CO<jats:sub>2<\/jats:sub> (4.95\u2005mmol\u2009g<jats:sup>\u22121<\/jats:sup>). It shows a Henry CO<jats:sub>2<\/jats:sub>\/N<jats:sub>2<\/jats:sub> selectivity of 15 and an ideal adsorbed solution theory (IAST) selectivity of 12 at <jats:italic>p<\/jats:italic>=1\u2005bar. As a CO<jats:sub>2<\/jats:sub> adsorbent, this compound is the best\u2010performing MOF to date among those bearing a nitro group as a unique chemical tag. High\u2010resolution powder X\u2010ray diffraction at 298\u2005K and different CO<jats:sub>2<\/jats:sub> loadings revealed, for the first time in a NO<jats:sub>2<\/jats:sub>\u2010functionalized MOF, the insurgence of primary host\u2013guest interactions involving the C(3)\u2013NO<jats:sub>2<\/jats:sub> moiety of the framework and the oxygen atoms of carbon dioxide, as confirmed by Grand Canonical Monte Carlo simulations. This interaction mode is markedly different from that observed in NH<jats:sub>2<\/jats:sub>\u2010functionalized MOFs, for which the carbon atom of CO<jats:sub>2<\/jats:sub> is involved.<\/jats:p>","DOI":"10.1002\/chem.201802240","type":"journal-article","created":{"date-parts":[[2018,7,20]],"date-time":"2018-07-20T11:51:08Z","timestamp":1532087468000},"page":"13170-13180","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":43,"title":["Nitro\u2010Functionalized Bis(pyrazolate) Metal\u2013Organic Frameworks as Carbon Dioxide Capture Materials under Ambient Conditions"],"prefix":"10.1002","volume":"24","author":[{"given":"Nello","family":"Mosca","sequence":"first","affiliation":[{"name":"Scuola del Farmaco e dei Prodotti della Salute Universit\u00e0 di Camerino  Via S. Agostino 1 62032 Camerino Italy"}]},{"given":"Rebecca","family":"Vismara","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienza e Alta Tecnologia Universit\u00e0 dell'Insubria  Via Valleggio 11 22100 Como Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5512-4092","authenticated-orcid":false,"given":"Jos\u00e9 A.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienza e Alta Tecnologia Universit\u00e0 dell'Insubria  Via Valleggio 11 22100 Como Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3411-989X","authenticated-orcid":false,"given":"Giulia","family":"Tuci","sequence":"additional","affiliation":[{"name":"Istituto di Chimica dei Composti Organometallici (ICCOM-CNR)  Via Madonna del Piano 10 50019 Sesto Fiorentino Italy"},{"name":"Dipartimento di Chimica \u201cUgo Schiff\u201d Universit\u00e0 di Firenze  Via della Lastruccia 3-13 50019 Sesto Fiorentino Firenze Italy"}]},{"given":"Corrado","family":"Di\u2005Nicola","sequence":"additional","affiliation":[{"name":"Scuola di Scienze e Tecnologie Universit\u00e0 di Camerino  Via S. Agostino 1 62032 Camerino Italy"}]},{"given":"Konstantin V.","family":"Domasevitch","sequence":"additional","affiliation":[{"name":"National Taras Shevchenko University of Kiev  Volodimirska Str. 64 01033 Kiev Ukraine"}]},{"given":"Carlotta","family":"Giacobbe","sequence":"additional","affiliation":[{"name":"ID11 Materials Science Beamline ESRF-European Synchrotron Radiation Facility  CS 40220 38043 Grenoble Cedex 9 France"}]},{"given":"Giuliano","family":"Giambastiani","sequence":"additional","affiliation":[{"name":"Istituto di Chimica dei Composti Organometallici (ICCOM-CNR)  Via Madonna del Piano 10 50019 Sesto Fiorentino Italy"},{"name":"Consorzio Interuniversitario Nazionale per la Scienza e, Tecnologia dei Materiali  Via Giusti 9 50121 Firenze Italy"},{"name":"Kazan Federal University  Kremlyovskaya Str. 18 420008 Kazan Russia"}]},{"given":"Claudio","family":"Pettinari","sequence":"additional","affiliation":[{"name":"Scuola del Farmaco e dei Prodotti della Salute Universit\u00e0 di Camerino  Via S. Agostino 1 62032 Camerino Italy"}]},{"given":"Marta","family":"Aragones\u2010Anglada","sequence":"additional","affiliation":[{"name":"Adsorption and Advanced Materials Laboratory (AAML) Department of Chemical Engineering &amp; Biotechnology University of Cambridge  Pembroke Street Cambridge CB2 3RA UK"}]},{"given":"Peyman Z.","family":"Moghadam","sequence":"additional","affiliation":[{"name":"Adsorption and Advanced Materials Laboratory (AAML) Department of Chemical Engineering &amp; Biotechnology University of Cambridge  Pembroke Street Cambridge CB2 3RA UK"}]},{"given":"David","family":"Fairen\u2010Jimenez","sequence":"additional","affiliation":[{"name":"Adsorption and Advanced Materials Laboratory (AAML) Department of Chemical Engineering &amp; Biotechnology University of Cambridge  Pembroke Street Cambridge CB2 3RA UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1283-2803","authenticated-orcid":false,"given":"Andrea","family":"Rossin","sequence":"additional","affiliation":[{"name":"Istituto di Chimica dei Composti Organometallici (ICCOM-CNR)  Via Madonna del Piano 10 50019 Sesto Fiorentino Italy"},{"name":"Consorzio Interuniversitario Nazionale per la Scienza e, Tecnologia dei Materiali  Via Giusti 9 50121 Firenze Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0335-5707","authenticated-orcid":false,"given":"Simona","family":"Galli","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienza e Alta Tecnologia Universit\u00e0 dell'Insubria  Via Valleggio 11 22100 Como Italy"},{"name":"Consorzio Interuniversitario Nazionale per la Scienza e, Tecnologia dei Materiali  Via Giusti 9 50121 Firenze Italy"}]}],"member":"311","published-online":{"date-parts":[[2018,8,27]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.rser.2010.06.003"},{"key":"e_1_2_7_2_1","volume-title":"Handbook of Porous Solids, Vol.\u20051\u20135","year":"2002"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1001-0742(08)60002-9"},{"key":"e_1_2_7_4_1","volume-title":"Metal\u2013Organic Framework Materials","author":"MacGillivray L. 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