Abstract
The infrared spectrum of NiN 2 isolated in solid argon at low temperature has been reinvestigated. New isotopic data on ν 1, ν 2, ν 3, ν 1+ ν 2 and 2 ν 1, have been gathered in the near- and far infrared regions. This information has led to a reassignment of the metal-ligand vibrations, and, consequently, to a reassessment of the Ni–N bond force constant which is in good agreement with previous theoretical predictions on NiN 2. Density Functional calculations of the geometrical, electronic and vibrational properties of NiN 2 are also presented and compared to the experimental values.
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