Inorganic Chemistry

Mechanochemical Synthesis of a Mercury(II) Metal-Organic Framework Reveals a Two-Dimensional Polymorph Stabilized by Weak Interactions


Solid-state mechanochemistry revealed a novel polymorph of the mercury(II) imidazolate framework, based on square-grid (sql) topology layers. Reaction monitoring and periodic density functional theory calculations show that the sql-structure is of higher stability than the previously reported three-dimensional structure, with the unexpected stabilization of a lower dimensionality structure explained by contributions of weak interactions, which include short C-H···Hg contacts.

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Supplementary material

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Supplementary Information ChemRxiv