Kitajima Group Tetradentate Model Compounds

Another gradient-corrected density functional study of reversible dioxygen binding and reversible 0-0 bond cleavage has been carried out for Cu2(p-T 2 r 2 

Core Structure Compound/Ligands (Solvent) Xmax (nm) 8 (M 1 cm ) Resonance Raman Spectrum (cm-1) (lsO Data) Cu-Cu Distance (A) 

In reference 44 the authors found that the [Cu2(p-0)2]2+ core with either the LlPr3 or LBn3 ligand system will activate C-H bonds for cleavage and oxidation, again having important implications for oxygenation catalysis. These authors provide a useful summary for the two core structures, which are replicated in Table 5.7. 

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