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Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph
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dc.contributor.author | Orsi, Angelica | |
dc.contributor.author | Price, David J. | |
dc.contributor.author | Kahr, Jürgen | |
dc.contributor.author | Pillai, Renjith S. | |
dc.contributor.author | Sneddon, Scott | |
dc.contributor.author | Cao, Shuai | |
dc.contributor.author | Benoit, Virginie | |
dc.contributor.author | Łozińska, Magdalena M. | |
dc.contributor.author | Cordes, David B. | |
dc.contributor.author | Slawin, Alexandra M. Z. | |
dc.contributor.author | Llewellyn, Philip L. | |
dc.contributor.author | Casely, Ian | |
dc.contributor.author | Ashbrook, Sharon Elizabeth | |
dc.contributor.author | Maurin, Guillaume | |
dc.contributor.author | Wright, Paul A. | |
dc.date.accessioned | 2018-01-21T00:31:46Z | |
dc.date.available | 2018-01-21T00:31:46Z | |
dc.date.issued | 2017-03-14 | |
dc.identifier | 249064819 | |
dc.identifier | 53dc0a71-d3c9-4105-8ac6-7000d65ad630 | |
dc.identifier | 85014511617 | |
dc.identifier | 000396132500005 | |
dc.identifier.citation | Orsi , A , Price , D J , Kahr , J , Pillai , R S , Sneddon , S , Cao , S , Benoit , V , Łozińska , M M , Cordes , D B , Slawin , A M Z , Llewellyn , P L , Casely , I , Ashbrook , S E , Maurin , G & Wright , P A 2017 , ' Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph ' , CrystEngComm , vol. 19 , no. 10 , pp. 1377-1388 . https://doi.org/10.1039/C6CE02476A | en |
dc.identifier.issn | 1466-8033 | |
dc.identifier.other | ORCID: /0000-0002-5366-9168/work/30066634 | |
dc.identifier.other | ORCID: /0000-0002-4538-6782/work/56639007 | |
dc.identifier.other | ORCID: /0000-0002-9527-6418/work/56862120 | |
dc.identifier.other | ORCID: /0000-0002-4243-9957/work/62668317 | |
dc.identifier.uri | https://hdl.handle.net/10023/12544 | |
dc.description | This work was supported by the European Community Seventh Framework Program (FP7/2007-2013) [grant agreement number 608490] (project M4CO2). A.O. would like to acknowledge the SCI for awarding a scholarship for her PhD research. G.M. thanks Institut Universitaire de France for its support. S.S. would like to thank the EPSRC for support EP/M506631/1. S.E.A would like to thank the Royal Society and Wolfson Foundation for a merit award. | en |
dc.description.abstract | Polymorphs of Zn(2-nIm)2 (compound 1 ) and Co(2-nIm)2 (compounds 2 and 3 ) (2-nIm = 2-nitroimidazole) have been prepared by two routes: solvothermal synthesis and recrystallisation of ZIF-65(Zn/Co). Compounds 1 and 2 are isostructural, with a tetrahedrally-connected framework topology related to, but different from, that of tridymite (lonsdaleite). Single crystal X-ray diffraction analysis showed that in compound 1 (Pccn, Z = 8; a = 8.462(8) Å, b = 14.549(15) Å, c = 18.799(18) Å, V = 2314(4) Å3) there is rotational disorder for two of the three crystallographically-distinct linker types, which has been investigated computationally and by solid-state NMR spectroscopy. Detailed adsorption studies on a sample of 1 prepared by recrystallisation show 1.1 mmol g-1 uptake of CO2 at 0.1 bar (25 °C) with high affinity for CO2 over CH4 and N2 (adsorption enthalpies of 39.5, 26.0 and 18.5 kJ mol-1, respectively). A cobalt analogue (compound 2 ) with improved water stability (but lower porosity) has also been prepared. Changing the conditions of synthesis and recrystallisation gives rise to a cobalt 2-nitroimidazolate (Co(2-nIm)2, compound 3 ), which has a layered structure (I41/amd, a = 6.025(18) Å, c = 26.95(8) Å, V = 978.3(5) Å3) containing sheets of tetrahedrally-connected Co2+ cations composed of four membered rings, without porosity. | |
dc.format.extent | 12 | |
dc.format.extent | 3902560 | |
dc.format.extent | 5037779 | |
dc.language.iso | eng | |
dc.relation.ispartof | CrystEngComm | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph | en |
dc.type | Journal article | en |
dc.contributor.sponsor | European Commission | en |
dc.contributor.sponsor | The Royal Society | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | 10.1039/C6CE02476A | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2018-01-20 | |
dc.identifier.grantnumber | 608490 | en |
dc.identifier.grantnumber | WM150021 | en |
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