Abstract
The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral environment [Fe-O bond-length range = 1.9517 (11)-2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions generate a two-dimensional supra-molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis-(acetyl-acetonato)iron(III) complex.
Highlights
The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16)
We report that the addition of triflic acid to a THF solution of
The Fe—O distance reported is 1.95 (1) Å, which is comparable to the average Fe—Oacac distance in (I) of
Summary
Because of its ease-of-handling, relative stability and good solubility in most organic solvents, tris(acetylacetonato)iron(III) [Fe(acac)3] is often used as a catalyst or catalyst precursor in iron-catalysed reactions (Sherry & Fürstner, 2008; Zettler et al, 2001). The loss or substitution of one or more acetylacetonate ligands from [Fe(acac)3] is expected. The substitution of a single acetylacetonato ligand is rarely observed. We report that the addition of triflic acid to a THF solution of [Fe(acac)3] results in the formation of a mononuclear bis(acetylacetonato)iron(III) complex, [Fe(acac)2(OTf)(THF)], the title compound (I) whose structure is reported . This compound is a rare bis(acetylacetonato)iron(III) complex that has been crystallographically characterized
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