Abstract
Analysis of ab initio cluster wave functions show that the shifts in the vibrational frequencies of CO/Cu and CN/Cu due to an applied electric field arise dominantly from a Stark effect. The CN bonding is largely ionic while CO has a dative covalent π bond. Consequently the Stark effect mechanisms are significantly different.
- Received 4 August 1986
DOI:https://doi.org/10.1103/PhysRevLett.58.559
©1987 American Physical Society