Characterization of Oxygen Species by Infrared Spectroscopy

Appendix C. Characterization of Oxygen Species by Infrared Spectroscopy  

The coordination of oxygen to transition metal ions which occurs mostly in the side-on fashion on surfaces (Section III,A,2 and Appendix B) can be described following the model of acetylene-metal complexes (467). Both 7tu and 7tg orbitals of molecular oxygen have proper symmetry to interact with the bonding set of s, p, and d orbitals on the metal. The bonding orbitals are shown in Fig. 29. 

Selected Vibrational Frequencies for Species Involving Oxygen Bonds 

A a bond is formed by transfer of electron density from a filled dioxygen 7tu bonding orbital to s, p, and d orbitals of appropriate symmetry on the metal and two 7t bonds are formed by transfer from filled metal d orbitals into unfilled 7t, antibonding orbitals of dioxygen. 

The orbitals involved in the bonding of dioxygen to transition metal ions. 

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