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Magnetic Resonance and Structural Investigations of (monooxooctaethylchlorinato)iron(III) Chloride and Its Bis(imidazole) Complex

Magnetic Resonance and Structural Investigations of (monooxooctaethylchlorinato)iron(III) Chloride and Its Bis(imidazole) Complex

Sheng Cai, Elena Belikova, Liliya A Yatsunyk, Alan M Stolzenberg, F Ann Walker

Inorg Chem. 2005 Mar 21;44(6):1882-9.

PMID: 15762714

Abstract:

(Monooxooctaethylchlorinato)iron(III) chloride, (oxo-OEC)FeCl, 1, has been investigated by X-ray crystallography and by 1H NMR spectroscopy. Its bis(imidazole-d4) complex has been studied by multidimensional 1H NMR and EPR spectroscopies, and the results are compared to those for the bis(Im-d4) complex of (octaethylchlorinato)iron(III) chloride, (OEC)FeCl, 2. EPR and NMR results show that both [(oxo-OEC)Fe(Im-d4)2]Cl and [(OEC)Fe(Im-d4)2]Cl are low-spin Fe(III) complexes with (d(xy))2 (d(xz),d(yz))3 electronic ground states, both at 4.2 K (EPR spectra) and at ambient temperatures utilized for solution NMR studies. The pattern of chemical shifts of the pyrrole-CH2 and meso protons are similar, with the 8,17-carbons having the largest and the 12,13-carbons having the smallest spin densities in each case, except that [(OEC)Fe(Im-d4)2]Cl has a slightly wider range of pyrrole-CH2 chemical shifts and more resonances are observed for [(oxo-OEC)Fe(Im-d4)2]Cl due to its lower symmetry. Full proton resonance assignments for both complexes have been made from COSY, NOESY, and NOE difference experiments.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP6923019	Imidazole-d4		6923-01-9	Price

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