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RESEARCH PRODUCT

Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas

Lee BrammerGuillermo Mínguez EspallargasGuillermo Mínguez EspallargasAlastair J. FlorenceJacco Van De Streek

subject

chemistry.chemical_classificationHydrogen bondIntermolecular forceInorganic chemistrySalt (chemistry)General ChemistryCrystal structureCondensed Matter PhysicsSynchrotronlaw.inventionCrystallographychemistrylawHalogenGeneral Materials ScienceIsostructuralPowder diffraction

description

Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–Br⋯Br–Cu halogen bonds and (only in the case of 2) N–H⋯Br–Cu hydrogen bonds.

https://doi.org/10.1039/c1ce05222e