Analyses for the C-O stretch frequency shifts of CO chemisorbed on Cu(100) in the absence and presence of an electric field

The origin of the shift in the CO vibra

The origin of the shift in the CO vibration of chemisorbed CO: Cluster model studies for CO / Cu(100)

✍ P.S. Bagus; W. Müller 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 545 KB

Two major contributions to the shift of the C-O stretch vibrational frequency between free CO and chemisorbed CO/C\*:(lOO) are identified. The overlap and consequent repulsion between the CO and metal orbit& leads to an increase in the frequency. The metal charge donation and dative bonding to CO 2-