a r t i c l e i n f o Keywords: Fe-bearing post-perovskite (MgSiO 3) ferrous and ferric iron (Fe 2 + and Fe 3 +) spin state crossover quadrupole splittings equation of state lower mantle D″ layer LDA + U Using density functional theory + Hubbard U (DFT + U) calculations, we investigate the spin states and nuclear hyperfine interactions of iron incorporated in magnesium silicate (MgSiO 3) post-p...

A novel, versatile route to phosphorus- and carbon-substituted η(5)-phosphacyclohexadienyl complexes was developed. Reaction of the anionic 2,4,6-triphenylphosphinine iron complex [K([18]crown-6)(thf)2][Cp*Fe(PC5Ph3H2)] (1) with selected main group element electrophiles afforded the new complexes [Cp*Fe(2-endo-H-PC5Ph3H2)] (endo-3), [Cp*Fe(2-exo-H-PC5Ph3H2)] (exo-3), [Cp*Fe(1-Me-PC5Ph3H2)] (4),...

(57)Fe Mössbauer spectra have been recorded from the hexagonal (6H)- and trigonal (15R)- modifications of BaFeO2F and are compared with those previously recorded from the cubic form of BaFeO2F. The spectra, recorded over a temperature range from 15 to 650 K show that all of the iron in all the compounds is in the Fe(3+) state. Spectra from the 6H- and 15R-modifications were successfully fitted ...

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 purpose of this study was to explore whether magnetic Fe(3)O(4) nanoparticles (Fe(3)O(4)-MNP) loaded with cisplatin (Fe(3)O(4)-MNP-DDP) can reverse DDP resistance in lung cancer cells and to investigate mechanisms of multidrug resistance in vitro and in vivo. MTT assay showed that DDP inhibited both A549 cells and DDP-resistant A549 cells in a time-dependent and dose-dependent manner, and t...

The relationships between the intervalence energy (E(IT)) and the free energy difference (DeltaG) that exists between the minima of redox isomers (Fe(II)-Ru(III)/Fe(III)-Ru(II)) for various heterobimetallic complexes [(R-Fcpy)Ru(NH(3))(5)](2+/3+) (R = H, ethyl, Br, actyl; Fcpy = (4-pyridyl)ferrocenyl; Ru(NH(3))(5) = pentaam(m)ineruthenium) were examined. The changes in DeltaG for the complexes ...

Let Fe be the set of faulty edges of Sn and E0 be the edge set of some pairwise vertex-disjoint paths of Sn. In [5], the authors showed that E0 lies on a Hamiltonian path P (u, v) of Sn−Fe where d(u, v) is odd, |Fe| ≤ n− 3, |E0| ≤ 2n− 7− 2|Fe|. In this paper we improve the previous result as follows: E0 lies on a Hamiltonian path P (u, v) of Sn − Fe where d(u, v) is odd, Fe ≤ n− 3, |E0| ≤ 2n− 6...

We study the ionization equilibrium of Fe using photoion-ization models that incorporate improved values for the ionization and recombination cross-sections and the charge-exchange rates for the Fe ions. The previously available photoionization models predict concentrations of Fe 3+ which are a factor of 3–8 higher than the values inferred from emission lines of [Fe iii] and [Fe iv]. Our new mo...

Despite renewed interest in carbon dioxide (CO2) reduction chemistry, examples of homogeneous iron catalysts that hydrogenate CO2 are limited compared to their noble-metal counterparts. Knowledge of the thermodynamic properties of iron hydride complexes, including M-H hydricities (ΔGH(-)), could aid in the development of new iron-based catalysts. Here we present the experimentally determined hy...

The Fe requirements of four monocotyledonous plant species (Avena sativa L., Triticum aestivum L., Oryza sativa L., Zea mays L.) and of three dicotyledonous species (Lycopersicum esculentum Mill., Cucumis sativus L., Glycine maxima (L.) Merr.) in hydroponic cultures were ascertained. Fe was given as NaFe-EDDHA chelate (Fe ethylenediamine di (O-hydroxyphenylacetate). I found that the monocotyled...