Complete vibrational spectrum of NiCO isolated in solid argon Original Research Article

The infrared spectrum of NiCO isolated in solid argon has been reinvestigated. Isotopic data on ν1, ν2, ν3, 2ν1, ν1+ν2 and ν1+ν3 have been measured in the near- and far-infrared regions. This enables a complete harmonic force-field calculation based on the assumption of a linear geometry. Comparisons with bond force constants of Ni(CO)4 and the latest ab initio predictions of the NiCO vibrational frequencies are also presented.