Usefulness of in situ single crystal to single crystal transformation (SCSC) studies in understanding the temperature-dependent dimensionality cross-over and structural reorganization in copper-containing metal-organic frameworks (MOFs)

  • Sarma D
  • Natarajan S
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Abstract

Two copper-containing compounds [Cu3(μ3-OH)2(H2O)2{(SO3)-C6H3-(COO)2}(CH3COO)], I, and [Cu5(μ3-OH)2(H2O)6{(NO2)-C6H3-(COO)2}4]·5H2O, II, were prepared using sulphoisophthalic and nitroisophthalic acids. The removal of the coordinated water molecules in the compounds was investigated using in situ single crystal to single crystal (SCSC) transformation studies, temperature-dependent powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The efficacy of SCSC transformation studies were established by the observation of dimensionality cross-over from a two-dimensional (I) to a three-dimensional structure, Cu6(μ3-OH)4{(SO3)-C6H3-(COO)2}2(CH3COO)2, Ia, during the removal of the coordinated water molecules. Compound II exhibited a structural reorganization forming Cu5(μ2-OH)2{(NO2)-C6H3-(COO)2}4], IIa, possessing trimeric (Cu3O12) and dimeric (Cu2O8) copper clusters. The PXRD studies indicate that the three-dimensional structure (Ia) is transient and unstable, reverting back to the more stable tw...

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Authors

  • Debajit Sarma

  • Srinivasan Natarajan

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