First-principles calculations were performed to study the structural, electronic, and magnetic properties of bcc Fe with C impurities alloyed with 2, 3, and 6 at.% of Mn. Our results reveal that both manganese concentration and carbon location with respect to Mn affect the Fe-Mn magnetic interaction. With an increase in Mn concentration in bcc Fe-Mn alloy, the local magnetic moment of manganese...

Properties of the manganese-based single-molecule magnet [Mn(6)(III)Cr(III)](3+) are studied. It contains six Mn(III) ions arranged in two bowl-shaped trinuclear triplesalen building blocks linked by a hexacyanochromate and exhibits a large spin ground state of S(t) = 21/2. The dominant structures in the electron emission spectra of [Mn(6)(III)Cr(III)](3+) resonantly excited at the L(3)-edge ar...

A series of single-component red/white-emitting CaScAlSiO6:Ce(3+),Tb(3+),Mn(2+) phosphors have been synthesized by a solid-state reaction. It is observed that CaScAlSiO6:Ce(3+),Tb(3+) phosphors exhibit two dominating bands situated at 380 and 542 nm, originating from the allowed 5d → 4f transition of the Ce(3+) ion and the (5)D4 → (7)F(J) = (J = 6, 5, 4, 3) transition of the Tb(3+) ion, respect...

Density functional theory (DFT) studies have been undertaken to compute the magnetic exchange and to probe the origin of the magnetic interactions in two hetero- and two homo-valent heptanuclear manganese disc-like clusters, of formula [Mn(II) 4 Mn(IV) 3 (tea)(teaH2 )3 (peolH)4 ] (1), [Mn(II) 4 Mn(III) 3 F3 (tea)(teaH)(teaH2 )2 (piv)4 (Hpiv)(chp)3 ] (2), [Mn(II) 7 (pppd)6 (tea)(OH)3 ] (3) and [...

In the title compound, {[Mn(6)(C(8)H(4)O(4))(6)(C(4)H(9)NO)(8)]·H(2)O}(n), two of the Mn atoms are six-coordinated by six O atoms from three benzene-1,4-dicarboxyl-ate (bdc) ligands and two trans DMA (dimethyl-acetamide) mol-ecules, whereas two other Mn atoms, located on inversion centers, are both in octa-hedral coordinations by six bdc O atoms. The discrete trinuclear manganese secondary buil...

The employment of the anion of methyl 2-pyridyl ketone oxime (mpko(-)) as a tridentate chelating/bridging ligand in manganese chemistry is described. The inorganic anion (Br(-), ClO(4)(-)) used in the reaction affects the identity of the product. The reaction of MnBr(2) and one equivalent of mpkoH in the presence of a base affords [Mn(3)(OMe)(2)(mpko)(4)Br(2)] (3), which is mixed-valence (2Mn(I...

Abstract manganese lipoxygenase (Mn-LO) oxygenates 18:3n-3 and 18:2n-6 to bis-allylic 11S-hydroperoxy fatty acids, which are converted to 13R-hydroperoxy fatty acids. Other unsaturated C(16)-C(22) fatty acids, except 17:3n-3, are poor substrates, possibly because of ineffective enzyme activation (Mn(II)-->Mn(III)) by the produced hydroperoxides. Our aim was to determine whether unsaturated C(16...

Manganese-zinc-ferrite nanoparticles (Mn(0.5)Zn(0.5)Fe(2)O(4), MZF-NPs) prepared by an improved co-precipitation method and were characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD) and energy dispersive spectrometry (EDS). Then thermodynamic testing of various doses of MZF-NPs was performed in vitro. The cytotoxicity of the Mn(0.5)Zn(0.5)Fe(2)O(4) nanoparticles in v...

In this Letter, we experimentally show that the room temperature ferromagnetism in the Mn-Zn-O system recently observed is associated with the coexistence of Mn(3+) and Mn(4+) via a double-exchange mechanism. The presence of the ZnO around MnO(2) modifies the kinetics of MnO(2)-->Mn(2)O(3) reduction and favors the coexistence of both Mn oxidation states. The ferromagnetic phase is associated wi...