Maier, Thomas M.; Gawron, Martin; Coburger, Peter; Bodensteiner, Michael; Wolf, Robert; van Leest, Nicolaas P.; de Bruin, Bas; Demeshko, Serhiy; Meyer, Franc published the artcile< Low-Valence Anionic α-Diimine Iron Complexes: Synthesis, Characterization, and Catalytic Hydroboration Studies>, Synthetic Route of 403-41-8, the main research area is iron diimine low valent complex preparation ketone hydroboration catalyst; crystal mol structure iron diimine low valent ferrate complex.
The synthesis of rare anionic heteroleptic and homoleptic α-diimine iron complexes is described. Heteroleptic BIAN complexes [(cod)Fe(BIAN)][K([18]c-6)(thf)0.5] (1) and [(dnbe)Fe(BIAN)][K([18]c-6)(thf)2] (2; H2BIAN = N,N’-Dipp2-1,2-acenaphtylenediamine, cod = 1,5-cyclooctadiene, dnbe = 5,5′-dinorbornene-6,6′-diyl)were synthesized by reduction of the [(BIAN)FeBr2] precursor complex using stoichiometric amounts of potassium graphite in the presence of the corresponding olefin. The electronic structure of these paramagnetic species was investigated by numerous spectroscopic analyses (NMR, EPR, 57Fe Mossbauer, UV-vis), magnetic measurements (Evans NMR method, SQUID), and theor. techniques (DFT, CASSCF). Whereas anion 1 is a low-spin complex, anion 2 consists of an intermediate-spin Fe(III) center. Both complexes are efficient precatalysts for the hydroboration of carbonyl compounds under mild reaction conditions. The reaction of bis(anthracene) ferrate(1-) gave the homoleptic BIAN complex 3-[K([18]c-6)(thf)], which is less catalytically active. The electronic structure was elucidated with the same techniques as described for complexes 1-[K([18]c-6)(thf)0.5] and 2-[K([18]c-6)(thf)2] and revealed an Fe(II) species in a quartet ground state. Highly reduced ferrate anions were synthesized and structurally characterized. The mol. structures were elucidated by X-ray crystallog. Because of the presence of redox-active α-diimine ligands, the electronic situation was thoroughly analyzed using high-level quantum chem. calculations 57Fe-Mossbauer, EPR, NMR, and UV-vis spectroscopies and SQUID magnetization measurements were employed to characterize the spectroscopic and magnetic properties. Two of the new complexes prepared are precatalysts for the hydroboration of carbonyl compounds requiring low catalyst loadings.
Inorganic Chemistry published new progress about Crystal structure. 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Synthetic Route of 403-41-8.
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