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Phenyl derivative of iron 5,10,15-tritolylcorrole.

ABSTRACT: 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 (1)H and (13)C 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 ?-substituted bromo derivatives and the DFT calculations.

SUBMITTER: Nardis S

PROVIDER: S-EPMC4002138 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Phenyl derivative of iron 5,10,15-tritolylcorrole.

Nardis Sara S Cicero Daniel O DO Licoccia Silvia S Pomarico Giuseppe G Berionni Berna Beatrice B Sette Marco M Ricciardi Giampaolo G Rosa Angela A Fronczek Frank R FR Smith Kevin M KM Paolesse Roberto R

Inorganic chemistry 20140403 8

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 tr ...[more]

PMID: 24697623

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