In Situ Single Crystal Diffraction Studies of the Structural Transition of Metal–Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3.

The flexibility of the metal-organic framework Cu(OH)(CHOS)(HO)•2HO (Cu-SIP-3) toward reversible single-crystal to single-crystal transformations is demonstrated using in situ diffraction methods at variable temperature. At temperatures below a dehydration-induced phase transition (T < 370 K) the st...

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Publicado en:Journal of the American Chemical Society Vol. 132; no. 10; pp. 3605 - 3612
Autores principales: Allan, Phoebe K., Bo Xiao, Teat, Simon J., Knight, Jason W., Morris, Russell E.
Formato: Artículo
Publicado: American Chemical Society 3/17/2010
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Acceso en línea:Ver este registro en EBSCOhost
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        10.1021/ja910600b
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        atl: In Situ Single Crystal Diffraction Studies of the Structural Transition of Metal–Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3.
      aug:
        au:
          Allan, Phoebe K.
          Bo Xiao
          Teat, Simon J.
          Knight, Jason W.
          Morris, Russell E.
        affil:
          School of Chemistry, University of St. Andrews, North Haugh, St. Andrews, Fife KY16 9ST, Scotland, U.K.
          Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, California
      su:
        Optical diffraction
        X-ray diffraction
        Copper
        Bragg gratings
        Nitric oxide
        X-ray spectroscopy
      sug:
        subj:
          Optical diffraction
          X-ray diffraction
          Copper
          Bragg gratings
          Nitric oxide
          X-ray spectroscopy
      ab: The flexibility of the metal-organic framework Cu(OH)(CHOS)(HO)•2HO (Cu-SIP-3) toward reversible single-crystal to single-crystal transformations is demonstrated using in situ diffraction methods at variable temperature. At temperatures below a dehydration-induced phase transition (T < 370 K) the structure is confirmed as being hydrated. In the temperature range where the transition takes place (370 K < T < 405 K) no discrete, sharp Bragg peaks can be seen in the single-crystal X-ray diffraction pattern, indicating significant loss of long-range order. At temperatures higher than 405 K, the Bragg peaks return and the structure can be refined as dehydrated Cu-SIP-3. The loss of guest water molecules can be followed at temperatures below the phase transition giving insight into the mechanism of the dehydration. Addition of nitric oxide gas to the material above the gating opening pressure of 275 mbar also leads to loss of Bragg scattering in the diffraction pattern.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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