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

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• 作者：Phoebe K. Allan ; Bo Xiao ; Simon J. Teat ; Jason W. Knight ; Russell E. Morris
• 刊名：Journal of the American Chemical Society
• 出版年：2010
• 出版时间：March 17, 2010
• 年：2010
• 卷：132
• 期：10
• 页码：3605-3611
• 全文大小：300K
• 年卷期：v.132,no.10(March 17, 2010)
• ISSN：1520-5126

文摘

The flexibility of the metal−organic framework Cu₂(OH)(C₈H₃O₇S)(H₂O)·2H₂O (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.