Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8,Journal of the American Chemical Society

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Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2011-08-17 , DOI: 10.1021/ja204757x
Dorina F. Sava , Mark A. Rodriguez , Karena W. Chapman ₁ , Peter J. Chupas ₁ , Jeffery A. Greathouse , Paul S. Crozier , Tina M. Nenoff

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Here we present detailed structural evidence of captured molecular iodine (I(2)), 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(2) molecules crystallographically inside the sodalite cages of ZIF-8 and to understand the capture of I(2) 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(2) capture.

中文翻译：

通过沸石咪唑酯框架 8 捕获挥发性碘，一种气态裂变产物

在这里，我们展示了在金属有机框架 ZIF-8 [沸石咪唑酯框架 8 或 Zn(2-methylimidazolate)(2)] 中捕获的分子碘 (I(2))、挥发性气体裂变产物的详细结构证据。放射性碘的有效捕获和储存引起了全世界的关注，因为它既来自核燃料后处理，也通常在核反应堆事故中释放。结合来自多个互补实验和计算探针的见解，在 ZIF-8 的方钠石笼内晶体学定位 I(2) 分子，并了解 I(2) 通过与框架结合的捕获。这些结构工具包括高分辨率同步加速器粉末 X 射线衍射、对分布函数分析和分子建模模拟。

更新日期：2011-08-17

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