Journal
INORGANIC CHEMISTRY
Volume 53, Issue 8, Pages 4215-4227Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic5003572
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Funding
- MIUR [PRIN 2009 2009Z9ASCA]
- U.S. National Institutes of Health [CA 132861]
- Universita della Basilicata
- [LEQSF(2011-12)-ENH-TR-01]
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The phenyl iron complex of 5,10,15-tritolylcorrole was prepared by reaction of the starting chloro iron complex with phenylmagnesium bromide in dichloromethane. The organometallic complex was fully characterized by a combination of spectroscopic methods, X-ray crystallography, and density functional theory (DFT) calculations. All of these techniques support the description of the electronic structure of this phenyl iron derivative as a low-spin iron(IV) coordinated to a closed-shell corrolate trianion and to a phenyl monoanion. Complete assignments of the H-1 and C-13 NMR spectra of the phenyl iron derivative and the starting chloro iron complex were performed on the basis of the NMR spectra of the regioselectively beta-substituted bromo derivatives and the DFT calculations.
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