On the similarity and differences for N2 and CO on Ni

The computed dipole derivatives for the N-N and C-O stretches are found to be quite similar, while the Ni-N derivative is much larger than for the corresponding Ni-C stretch; this is in agreement with experiment. A constrained space orbital variation (CSOV) analysis shows shows that the NiN2 bonding is more similar to that in NiCO than was concluded based upon the experimental dipole derivatives and binding energy shifts.