A Combined Experimental-Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks.
A series of five zeolitic imidazolate frameworks (ZIFs) have been synthesized using zinc(II) acetate and five different 4,5-functionalized imidazole units, namely ZIF-25, -71, -93, -96, and -97. These 3-D porous frameworks have the same underlying topology (RHO) with Brunauer-Emmet-Teller surface ar...
| Publicado en: | Journal of the American Chemical Society Vol. 132; no. 32; pp. 11006 - 11009 |
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| Autores principales: | , , , , , , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
8/18/2010
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=53877168&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 53877168 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 8/18/2010 vid: 132 iid: 32 pid: 997 pub: American Chemical Society artinfo: ui: 53877168 10.1021/ja104035j ppf: 11006 ppct: 3 formats: tig: atl: A Combined Experimental-Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks. aug: au: Morris, William Leung, Belinda Furukawa, Hiroyasu Yaghi, Omar K. Ning He Hayashi, Hideki Houndonougbo, Yao Asta, Mark Laird, Brian B. Yaghi, Omar M. affil: Center for Reticular Chemistry, Department of Chemistry and Biochemistry, University of California—Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095 Department of Chemistry, University of Kansas, Lawrence, Kansas 66045 Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science Building, Cheney, Washington 99004 Department of Materials Science and Engineering, University of California—Berkeley, 210 Hearst Memorial Mining Building, Berkeley, California 94720 su: Carbon dioxide adsorption Structural frames Porous materials Functional groups Polarizability (Electricity) Chemistry experiments sug: subj: Carbon dioxide adsorption Structural frames Porous materials Functional groups Polarizability (Electricity) Chemistry experiments ab: A series of five zeolitic imidazolate frameworks (ZIFs) have been synthesized using zinc(II) acetate and five different 4,5-functionalized imidazole units, namely ZIF-25, -71, -93, -96, and -97. These 3-D porous frameworks have the same underlying topology (RHO) with Brunauer-Emmet-Teller surface areas ranging from 564 to 1110 m/g. The only variation in structure arises from the functional groups that are directed into the pores of these materials, which include -CH, -OH, -Cl, -CN, -CHO, and -NH; therefore these 3-D frameworks are ideal for the study of the effect of functionality on CO uptake. Experimental results show CO uptake at approximately 800 Torr and 298 K ranging from 0.65 mmol g in ZIF-71 to 2.18 mmol g in ZIF-96. Molecular modeling calculations reproduce the pronounced dependence of the equilibrium adsorption on functionalization and suggest that polarizability and symmetry of the functionalization on the imidazolate are key factors leading to high CO uptake. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2010 holdings: @attributes: islocal: N |
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