Using the system Fe(SH)4 to model the active site of rubredoxin, we have carried out a b initio quality Hartree-Fock and extensive configuration interaction studies of the ground and excited states of both the oxidized and reduced systems. We have established that the ground state is high spin in both redox forms and find charge distributions in agreement with Mossbauer studies. Based on calcul...

A combination of magnetic susceptibility and Mossbauer measurements on quasicrystalline i­ Ah4Mn2o-xFexSi6 (0.02 ~ x ~ 7.5) establishes that Mn atoms in i-Ab4Mn2oSi6 occupy two distinct classes of sites, and that Fe substitutes for only one of them. The two classes are distinguished by the possession or otherwise of a localized magnetic moment. The data are consistent with a structure of in­ te...

The crystallochemical characterization of magnetic spinels prepared from aqueous solution has been studied primarily by electron microscopy and 5 Fe Mossbauer spectroscopy. . Two synthetic routes investigated : 7Fe have been t : method 1; partial oxidation of Fell solutions " in the presence of NO;; at 100°C, O C , and method 2; reaction of hydrated Fe oxide (ferrihydrite) with Fell ions at roo...

A protonated and a completely deuterated two-iron algal ferredoxin from Synechococcus lividus have been studied by optical, electron paramagnetic resonance, electron-nuclear double resonance, proton magnetic resonance and Mossbauer spectroscopies; temperature dependent magnetic susceptibility measurements are reported as well. These studies have confirmed the electron localized model of the act...

The effect of surface functionalization with citric acid on the properties magnetic nanoparticles (MNPs) Zn x Fe 3-x O 4 (x=0; 0.25; 0.5; 0.75; 1.0) synthesized by hydrothermal method was studied. To study MNPs, X-ray diffractometry (XRD) and energy dispersive spectroscopy (EDS) were used. samples phase state MNPs studied using a physical property measurement system (PPMS) Mossbauer (MS). It ha...

2014 Mössbauer spectra of hydrous spinel iron oxide colloids and their evolution with thermal treatment have been interpreted using a modified Weiss local field model. It is found that interparticle interactions overcome the single particle anisotropy energy. Existence of a crystalline texture within aggregates is suggested. J. Physique Lett. 46 (1985) L-437 L-443 15 mm 1985, Classification Phy...

Nanowires from iron were investigated. Samples in the form of arrays parallel threads (wires) obtained by matrix synthesis using track membranes. Matrices with pores 100 nm used, and growth voltage was varied --- 0.8 V, 1 V 1.2 V. Electron microscopic studies samples carried out. The data Mossbauer spectroscopy magnetometry correlate well. Thus, a comparison results these methods showed that an...

Time-resolved electronic spectra can be obtained as the Fourier transform of a special type of time correlation function known as fidelity amplitude, which, in turn, can be evaluated approximately and efficiently with the dephasing representation. Here we improve both the accuracy of this approximation-with an amplitude correction derived from the phase-space propagator-and its efficiency-with ...