P.S. Bagus, K. Hermann, et al.
The Journal of Chemical Physics
Two major contributions to the shift of the CO stretch vibrational frequency between free CO and chemisorbed CO/Cu(100) are identified. The overlap and consequent repulsion between the CO and metal orbitals leads to an increase in the frequency. The metal charge donation and dative bonding to CO 2π* leads to a decrease. © 1985.
P.S. Bagus, K. Hermann, et al.
The Journal of Chemical Physics
P.S. Bagus, M. Krauss, et al.
Chemical Physics Letters
H. Morawitz, P.S. Bagus, et al.
Synthetic Metals
J.Q. Broughton, P.S. Bagus
The Journal of Chemical Physics