The preparation and spectroscopic characterization of a CO-inhibited [FeFe] hydrogenase with a selectively (57)Fe-labeled binuclear subsite is described. The precursor [(57)Fe2(adt)(CN)2(CO)4](2-) was synthesized from the (57)Fe metal, S8, CO, (NEt4)CN, NH4Cl, and CH2O. (Et4N)2[(57)Fe2(adt)(CN)2(CO)4] was then used for the maturation of the [FeFe] hydrogenase HydA1 from Chlamydomonas reinhardti...

Carbon monoxide, CO, is a ubiquitous ligand in organometallic and coordination chemistry. In the present paper we investigate the neutral isoelectronic molecules AB ) N2, CO, BF, and SiO and their coordination in the model complexes Fe(CO)4AB and Fe(AB)5, using nonlocal density functional theory and a large, polarized STO basis set of triple-ú quality (NL-SCF/TZ(2P)). Our aim is to get more ins...

O estudo de [Fe(CO)5], [Fe2(CO)9] e [Fe3(CO)12] como precursores catalíticos nas reações de hidrogenação do ciclohexeno e 1-hexeno foi efetuado. Um reator fotoquímico com fluxo de H2 e irradiação UV-vis foi usado no processo. Os espectros infravermelho das amostras mostraram a formação de [Fe(CO)4(olefina)] e [HFe(CO)3(π-alila)] como intermediários. A atividade mostrada do [Fe2(CO)9] na hidroge...

The anion [Fe(2)(S(2)C(3)H(6))(CN)(CO)(4)(PMe(3))](-) (2(-)) is protonated by sulfuric or toluenesulfonic acid to give HFe(2)(S(2)C(3)H(6))(CN)(CO)(4)(PMe(3)) (2H), the structure of which has the hydride bridging the Fe atoms with the PMe(3) and CN(-) trans to the same sulfur atom. (1)H, (13)C, and (31)P NMR spectroscopy revealed that HFe(2)(S(2)C(3)H(6))(CN)(CO)(4)(PMe(3)) is stereochemically ...

The title compound, [Fe(3)(C(8)H(8)N(2)O)S(2)(CO)(8)], was prepared by the direct reaction of Fe(3)(CO)(12) and 5-meth-oxy-1H-benzoimidazole-2-thiol in tetra-hydro-furan. Desulfurization took place readily to form a sulfide carbonyl cluster. The mol-ecule contains a triangle consisting of three Fe atoms capped by two S atoms above and below. There are two Fe-Fe bonds [2.6322 (5) and 2.5582 (5) ...

The microstructure and compositions of the bulk nanocomposite SmCo/Fe permanent magnet were studied using transmission electron microscopy and 3-dimensional atom probe techniques. The excellent magnetic properties were related to the uniform nanocomposite structure with nanometer a-Fe particles uniformly distributed in the SmCo phase matrix. The a-Fe phase contained 26 at% Co, and the SmCo phas...

The mechanism of aqueous contaminant removal by elemental iron (Fe 0 ) materials (e.g., in Fe 0 -H2O systems) has been largely discussed in the “iron technology” literature. Two major removal mechanisms are usually discussed: (i) contaminant adsorption onto Fe 0 oxidation products, and (ii) contaminant reduction by Fe 0 , Fe II or H/H2. However, a closer inspection of the chemistry of the Fe 0 ...

Human serum albumin (HSA), the most abundant protein in human plasma, could be considered as a prototypic monomeric allosteric protein, since the ligand-dependent conformational adaptability of HSA spreads beyond the immediate proximity of the binding site(s). As a matter of fact, HSA is a major transport protein in the bloodstream and the regulation of the functional allosteric interrelationsh...