Field-induced vibrational frequency shifts of CO and CN chemisorbed on Cu(100)
- 9 February 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 58 (6) , 559-562
- https://doi.org/10.1103/physrevlett.58.559
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.Keywords
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