On the similarity and differences for N2 and CO on Ni

✍ Scribed by Charles W. Bauschlicher Jr.

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 572 KB
• Volume: 115
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(85)85154-x

✦ Synopsis

The computed dipole derivatives for the N-N and C-O stretches are quite similar, while the Ni-N derivative is much larger than for the corresponding Ni-C stretch; this is in agreement with experiment. A CSOV analysis shows that the NM2 bonding is more similar to that in NiCO than was concluded based upon the experimental dipole derivatives and binding energy shifts.