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

Schatz Markus | Zendy; Raab Volker | Zendy; Foxon Simon P. | Zendy; Brehm Georg | Zendy; Schneider Siegfried | Zendy; Reiher Markus | Zendy; Holthausen Max C. | Zendy; Sundermeyer Jörg | Zendy; Schindler Siegfried | Zendy

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

Author(s) -

Schatz Markus,

Raab Volker,

Foxon Simon P.,

Brehm Georg,

Schneider Siegfried,

Reiher Markus,

Holthausen Max C.,

Sundermeyer Jörg,

Schindler Siegfried

Publication year - 2004

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200454125

Subject(s) - raman spectroscopy , copper , chemistry , resonance (particle physics) , computational chemistry , photochemistry , atomic physics , physics , optics , organic chemistry

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 16 O, 18 O isotopic‐labeling Raman experiments to discriminate end‐on from side‐on bonding modes in M(O 2 ) complexes.

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