Phenyl derivative of iron 5,10,15-tritolylcorrole.
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 β-substituted bromo derivatives and the DFT calculations.
Department of Chemical Science and Technologies, Università di Roma Tor Vergata , 00133 Roma, Italy.
Sara
S
Nardis
Daniel O
DO
Cicero
Silvia
S
Licoccia
Giuseppe
G
Pomarico
Beatrice
B
Berionni Berna
Marco
M
Sette
Giampaolo
G
Ricciardi
Angela
A
Rosa
Frank R
FR
Fronczek
Kevin M
KM
Smith
Roberto
R
Paolesse
D001555:Benzene Derivatives / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005296:Ferrous Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D007501:Iron / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D011166:Porphyrins / Q000737:chemistry*; D011789:Quantum Theory
C000596935:5,10,15-tritolylcorrole; D001555:Benzene Derivatives; D005296:Ferrous Compounds; D011166:Porphyrins; D007501:Iron