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Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8.

Here we present detailed structural evidence of captured molecular iodine (I), a volatile gaseous fission product, within the metal-organic framework ZIF-8 [zeolitic imidazolate framework-8 or Zn(2-methylimidazolate)2]. There is worldwide interest in the effective capture and storage of radioiodine,...

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Published in:Journal of the American Chemical Society Vol. 133; no. 32; pp. 12398 - 12402
Main Authors: Sava, Dorina F., Rodriguez, Mark A., Chapman, Karena W., Chupas, Peter J., Greathouse, Jeffery A., Crozier, Paul S., Nenoff, Tina M.
Format: Article
Published: American Chemical Society 8/17/2011
Subjects:
Iodine isotopes
Isotope separation
Optical diffraction
Radioactive waste management
Chemical bonds
Online Access:View this record in EBSCOhost
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        00027863
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      jtl: Journal of the American Chemical Society
      issn: 00027863
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      dt: 8/17/2011
      vid: 133
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      pub: American Chemical Society
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        10.1021/ja204757x
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        atl: Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8.
      aug:
        au:
          Sava, Dorina F.
          Rodriguez, Mark A.
          Chapman, Karena W.
          Chupas, Peter J.
          Greathouse, Jeffery A.
          Crozier, Paul S.
          Nenoff, Tina M.
        affil:
          Surface and Interface Sciences Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
          Materials Characterization Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
          Scalable Algorithms Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
          Geochemistry Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
          X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, United States
      su:
        Iodine isotopes
        Isotope separation
        Optical diffraction
        Radioactive waste management
        Chemical bonds
      sug:
        subj:
          Iodine isotopes
          Isotope separation
          Optical diffraction
          Radioactive waste management
          Chemical bonds
      ab: Here we present detailed structural evidence of captured molecular iodine (I), a volatile gaseous fission product, within the metal-organic framework ZIF-8 [zeolitic imidazolate framework-8 or Zn(2-methylimidazolate)2]. There is worldwide interest in the effective capture and storage of radioiodine, as it is both produced from nuclear fuel reprocessing and also commonly released in nuclear reactor accidents. Insights from multiple complementary experimental and computational probes were combined to locate I molecules crystallographically inside the sodalite cages of ZIF-8 and to understand the capture of I via bonding with the framework. These structural tools included high-resolution synchrotron powder X-ray diffraction, pair distribution function analysis, and molecular modeling simulations. Additional tests indicated that extruded ZIF-8 pellets perform on par with ZIF-8 powder and are industrially suitable for I capture.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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          year: 2011
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