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| - Solvation of Copper(II) Ions in Liquid Ammonia
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| - X-ray absorption fine structure (XAFS) measurementshave been performed at −50 °C on a 0.4 moldm-3 copper(II)nitrate solution in liquid ammonia. Extended X-ray absorption finestructure (EXAFS) spectroscopy was used todetermine the coordination number and bond distances for the solvatedcopper(II) ion in solution. The equatorialammonia nitrogens are located 2.00 Å from the copper and the axialnitrogen 2.19 Å from the copper. However,it was not possible from the EXAFS analysis alone to conclude whetherthere was one or two axial nitrogens.Therefore, X-ray absorption near-edge structure (XANES)spectroscopy was combined with discrete variationalXα (DV−Xα) molecular orbital calculations for a series of five-and six-coordinated models to determine thecoordination number and the geometry. The experimental XANESspectrum was best reproduced by a modelwhere the copper(II) ion is pentacoordinated in liquid ammonia ina square pyramidal geometry with the copper(II)ion lifted above the average nitrogen plane.
- A combination of X-ray absorption fine structurespectroscopy of copper(II) ions solvated in liquid ammonia anddiscrete variational Xα molecular orbital calculations suggests thata maximum of five ammonia molecules are coordinated by thecopper(II) ion in a square pyramidal geometry with thecopper(II) ion lifted above the average nitrogenplane.
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