Journal
DALTON TRANSACTIONS
Volume 40, Issue 42, Pages 11276-11281Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1dt11533b
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Funding
- German Science Foundation (DFG)
- Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences (HGS)
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Iron-bispidine complexes are efficient catalysts for the oxidation of thioanisole to phenylmethylsulfoxide with iodosylbenzene as oxidant. With the tetradentate bispidine ligand L-1 (L-1 = 2,4-pyridyl-3,7-diazabicyclo[3.3.1]nonane)) the catalytic efficiency is smaller than with the pentadentate bispidine ligand L-2 (L-2 = 2,4-pyridyl-7-(pyridine-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane)). Based on the redox potentials (iron complexes with L-1 are stronger oxidants than with L-2) and known efficiencies in catalytic olefin oxidation and C-H activation reactions, the expectations were different. A DFT-based analysis is used to explain the apparent contradiction, and this is based on differences in the electronic ground states of the ferryl complexes as well as in the oxygen transfer transition states.
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