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 1H and 13C 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 β-substituted bromo derivatives and the DFT calculations.

NARDIS, S., CICERO, D.O., LICOCCIA, S., POMARICO, G., Berna, B., SETTE, M., et al. (2014). Phenyl derivative of iron 5,10,15-tritolylcorrole. INORGANIC CHEMISTRY, 53(8), 4215-4227 [10.1021/ic5003572].

Phenyl derivative of iron 5,10,15-tritolylcorrole

NARDIS, SARA;CICERO, DANIEL OSCAR;LICOCCIA, SILVIA;POMARICO, GIUSEPPE;SETTE, MARCO;PAOLESSE, ROBERTO
2014

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 1H and 13C 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 β-substituted bromo derivatives and the DFT calculations.
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Rilevanza internazionale
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Esperti anonimi
Settore CHIM/07 - Fondamenti Chimici delle Tecnologie
eng
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NARDIS, S., CICERO, D.O., LICOCCIA, S., POMARICO, G., Berna, B., SETTE, M., et al. (2014). Phenyl derivative of iron 5,10,15-tritolylcorrole. INORGANIC CHEMISTRY, 53(8), 4215-4227 [10.1021/ic5003572].
Nardis, S; Cicero, Do; Licoccia, S; Pomarico, G; Berna, B; Sette, M; Ricciardi, G; Rosa, A; Fronczek, F; Smith, K; Paolesse, R
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/134161
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