Combined spectroscopic and theoretical evidence for a persistent end-on copper superoxo complex

被引：174

作者：

Schatz, M

Raab, V

Foxon, SP

Brehm, G

Schneider, S

Reiher, M

Holthausen, MC

Sundermeyer, J

Schindler, S

机构：

[1] Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany

[2] Univ Giessen, Inst Anorgan & Analyt Chem, D-35392 Giessen, Germany

[3] Univ Erlangen Nurnberg, Inst Phys & Theoret Chem, D-91058 Erlangen, Germany

[4] Univ Bonn, D-53115 Bonn, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 33期

关键词：

copper; density functional calculations; dioxygen ligands; Raman spectroscopy; tripod ligands;

D O I：

10.1002/anie.200454125

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：4360 / 4363

页数：4

共 58 条

[1] Snapshots of dioxygen activation by copper:: The structure of a 1:1 Cu/O2 adduct and its use in syntheses of asymmetric bis(μ-oxo) complexes [J].