Ferrimagnetic and semiconducting CaCu3Fe2Sb2O12 by first principles

CaCu3Fe2Sb2O12 is mechanically stable, thermodynamically stable at pressures above 18 GPa. Both GGA and GGA + U methods predict that it is a ferrimagnetic semiconductor with Fe3+ in high spin state (S = 5/2). The coupling of Fe-Cu is antiferromagnetic, while that of Cu-Cu is ferromagnetic. The calculated total spin moment is 6.17 mu(B).

Poly[[(pentaethylenehexamine)manganese(II)] [hepta-mu-selenido-tritin(IV)]]: a tin-selenium net with remarkable flexibility

The title compound, {[Mn(C10H28N6)][Sn3Se7]}(n), consists of anionic (infinity){[Sn3Se7](2-)} layers interspersed by [Mn(peha)](2+) complex cations ( peha is pentaethylenehexamine). Pseudo-cubic (Sn3Se4) cluster units within each layer are held together to form a 6(3) net with a hole size of 8.74 x 13.87 angstrom. Weak N-H center dot center dot center dot Se interactions between the host inorganic frameworks and metal complexes extend the components into a three-dimensional network. The incorporation of metal complexes into the flexible anion layer dictates the distortion of the holes.

Ordered magnetic core-manganese oxide shell nanostructures and their application in water treatment

In this paper, we have reported a facile method for the synthesis of ordered magnetic core-manganese oxide shell nanostructures. The process included two steps. First, manganese ferrite nanoparticles were obtained through a solvothermal method. Then, the manganese ferrite nanoparticles were mixed directly with KMnO4 solution without any additional modified procedures of the magnetic cores. It has been found that Mn element in the core can react with KMnO4 to form manganese oxide which acts as a seed for the in-situ growth of manganese oxide shells. This is significant for the controllable fabrication of symmetrical ordered manganese oxide shell structures. The shell thickness can be easily controlled through the reaction time. Transmission electron microscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray powder diffraction and energy-dispersive X-ray spectroscopy have been employed to characterize the products at different reaction time.

Multicolor Tuning of Manganese-Doped ZnS Colloidal Nanocrystals

In this paper, we report a facile route which is based Oil tuning doping concentration of Mn2+ ions in ZnS nanocrystals, to achieve deliberate color modulation from blue to orange-yellow under single-wavelength excitation. X-ray diffraction (XRD), transmission electron microscopy (TEM), as well as photoluminescence (PL) spectra were employed to characterize the obtained samples. In this process, the relative emission intensities of both ZnS host (blue) and Mn2+ dopant (orange-yellow) are sensitive to the Mn2+ doping concentration, due to the energy transfer from ZnS host to Mn2+ dopant. As a result of fine-tuning of these two emission components, white emission can be realized for Mn2+-doped ZnS nanocrystals. Furthermore.

catena-Poly[[[di-mu-acetato-kappa O-4 : O '-bis[(acetato-kappa O-2,O ')manganese(II)]]-di-mu-4,4 '-bipyridine-kappa N-4 : N '] monohydrate

The title compound, {[Mn-2(CH3CO2)(4)(C10H8N2)(2)](H2O)-H-.}(n), is a one-dimensional coordination polymer with a ladder-like structure. Two Mn-II atoms, each coordinated by a chelating acetate ligand, are bridged by two bidentate acetate ligands to form a centrosymmetric [Mn-2(CH3CO2)(4)] unit. Two 4,4'-bipyridine ligands link the [Mn-2(CH3CO2)(4)] units through Mn-N bonds to generate a molecular ladder. The water O atom lies on a crystallographic twofold rotation axis.

Direct oxidation of benzene to phenol on manganese pyrophosphate with hydrogen peroxide

A solid catalyst manganese pyrophosphate based on non-sieves to oxidize benzene to phenol with oxidant hydrogen peroxide has shown good conversion with good selectivity in CH3CN at 65 degrees C investigating water contact angle data of three manganese salts, it is found manganese pyrophosphate has certain repulsive water character. It is further to be confirmed by benzene and phenol adsorption experiments onto catalyst surface by GC. With benzene/H2O2 ratio of 1, the benzene conversion of 13.8% with phenol selectivity of 85.0% was achieved. It is noteworthy that no any products are obtained using manganese pyrophosphate as catalyst in the oxidation of phenol in CH3CN solvent.

catena-Poly[[[di-mu-acetato-kappa O-4 : O '-bis[(acetato-kappa O-2,O ')manganese(II)]]-di-mu-4,4 '-bipyridine-kappa N-4 : N '] monohydrate]

The title compound, {[Mn-2(CH3CO2)(4)(C10H8N2)(2)](H2O)-H-.}(n), is a one-dimensional coordination polymer with a ladder-like structure. Two Mn-II atoms, each coordinated by a chelating acetate ligand, are bridged by two bidentate acetate ligands to form a centrosymmetric [Mn-2(CH3CO2)(4)] unit. Two 4,4'-bipyridine ligands link the [Mn-2(CH3CO2)(4)] units through Mn-N bonds to generate a molecular ladder. The water O atom lies on a crystallographic twofold rotation axis.