Combined Spectroscopic and Theoretical Evidence for a Persistent End‐On Copper Superoxo Complex

Markus Schatz, Volker Raab, S.P. Foxon, G. Brehm, Siegfried Schneider, Markus Reiher, Max C. Holthausen, Jörg Sundermeyer, Siegfried Schindler

Angewandte Chemie International Edition · 2004 · 185 citations · 38 references

Concepts

Abstract

A tale of two modes: An end-on copper superoxo complex was identified in a combined experimental and theoretical study. Theory clearly discloses the presence of an end-on complex (see picture, O red, Cu pink, N green) with a minute isotopic resonance Raman splitting below experimental resolution. The results cast doubts on the uncritical use of 16O,18O isotopic-labeling Raman experiments to discriminate end-on from side-on bonding modes in M(O2) complexes.

References

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