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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.