Enhancement of magnetic anisotropy in mechanically attrited Cr2O3 nanoparticles

Cr₂O₃ nanoparticles of sizes from 24 to 12 nm were synthesized by mechanical grinding. Magnetic hysteresis loops were observed in the temperature range 5-300 K. Zero-field magnetization measurements showed two peaks, at low temperature in the range 36-52 K and at high temperature in the range 255-290 K. They were found to shift to higher temperatures as the particle size was reduced. This was ascribed due to the enhancement of the effective anisotropy constant with a decrease in particle size. The exchange bias was found to increase as the particle size became smaller. This is believed to arise due to an increase in uncompensated spins as a result of large surface area created.     

Multiferroic properties of NiS nanoplates grown within Na-4 mica

Nanoplates of NiS with thickness 0.6 nm were grown within the crystal channels of Na-4 mica. The thickness of the nanoplates is confirmed by atomic force microscopy. The nanocomposites exhibited multiferroic (both ferromagnetic and ferroelectric) behavior at room temperature. Ferromagnetism was adduced to an increase of surface defects as a result of the two-dimensional configuration of the sample. Ferroelectric behavior was explained as arising due to a small distortion in the crystal structure of NiS grown within the Na-4 mica channels. This was substantiated by the refined values of lattice constants as determined by profile matching of X-ray data by a computer program. A magnetodielectric effect was also observed in this nanocomposite with a change of 0.77% in the dielectric constant for a magnetic field of 0.6 T.     

Magnetodielectric effect in composites of nanodimensional glass and CuO nanoparticles

Nanocomposites comprising CuO particles of average diameter 21 nm coated with 5 nm silica glass containing iron ions were synthesized by a chemical route. An ion exchange reaction at the nanoglass/CuO interface produced iron-doped CuO with copper ion vacancies within the nanoparticles. Room temperature ferromagnetic-like behavior was observed in the nanocomposites. This was ascribed to uncompensated spins contributed by Fe ions with associated copper ion vacancies. A rather high value of magnetodielectric parameter in the range 16–26% depending on the measuring frequency was exhibited by these nanocomposites at a magnetic field of 10 KOe. This was caused by a magnetoresistance of 33% in the iron doped CuO nanoparticles. The experimental results were fitted to the Maxwell–Wagner Capacitor model developed by Catalan. These materials will be suited for magnetic sensor applications.     

Chemistry of metal-bound anion radicals. A family of mono- and bis(azopyridine) chelates of bivalent ruthenium

The reaction of the dihydride [RuII(H)2(CO)(PPh3)3], 3, with excess azo-2,2'-bipyridine (abp) in boiling dry benzene has afforded the diradical bischelate [RuII(abp.-)2(CO)(PPh3)], 4, and the hydridic monochelate monoradical [RuII(abp.-)(H)(CO)(PPh3)2], 5. A similar reaction between 3 and 2-(p-chlorophenylazo)pyridine (Clpap) did not yield a bischelate, but the hydridic monoradical [RuII(Clpap.-)(H)(CO)(PPh3)2], 6, has been isolated. Upon treatment of 4-6 with NH4PF6 in a wet dichloromethane-acetonitrile medium, the one-electron-oxidized salts 4+PF6-, 5+PF6-, and 6+PF6- are isolated, H+ being the oxidizing agent. The X-ray structures of 4+PF6-.CH2Cl2, 5+PF6-.H2O, and 6+PF6- have been determined. In the monoradical 4+ the azo N-N bond lengths in the two chelate rings are 1.284(6) and 1.336(6) A, showing that the radical electron is localized in the latter ring. The half-filled extended Hückel HOMO is indeed found to be so localized, and it has a large azo character. Complexes 4-6 display radical redox couples with E1/2 in the range -0.5 to +0.10 V vs SCE. The E1/2 values qualitatively correlate with corresponding vco values (1900-2000 cm-1). The monoradicals (S = 1/2) 4+, 5, and 6 uniformly display a strong EPR signal near g = 2.00. Metal-mediated magnetic interaction makes the EPR-silent diradical 4 strongly antiferromagnetic with J = -299 cm-1. Crystal data are as follows: (4+PF6-.CH2Cl2, C40H33Cl2F6N8-OP2Ru) monoclinic, space group P2(1)/c (no. 14), a = 14.174(6) A, b = 16.451(4) A, c = 18.381(4) A, beta = 98.00(3) degrees, Z = 4; (5+PF6-.H2O, C47H41F6N4O2P3Ru) monoclinic, space group P2(1)/n (no. 14), a = 9.433(2) A, b = 38.914(17) A, c = 13.084(3) A, beta = 103.47(2) degrees, Z = 4; (6+PF6-, C48H39ClF6N3OP3Ru) monoclinic, space group P2(1)/n (no. 14), a = 10.496(5) A, b = 22.389(8) A, c = 19.720(6) A, beta = 90.53(3) degrees, Z = 4.     

Electronic singlet-singlet absorption spectra of α-naphtol in pure and mixed crystals

Polarized S-S absorption spectra of α-naphtol single crystals show that the first two electronic absorption systems are respectively long-axis and short-axis polarized (A′←A′) transitions. The polarized absorption spectra of α-naphtol in a diphenyl host crystal, however, show that the electronic transition of the α-naphtol molecule is not exactly along the long axis, but slightly bent towards the short axis of the molecule.     

The evolution of manufacturing cells: An action research study

This study seeks to explain how and why manufacturing cells evolve over time. The purpose is to prevent many of the cellular manufacturing failures reported in industry. We conclude that manufacturing cells go through, somewhat overlapping, evolutionary stages before they begin to perform at the optimal level. It is important to recognize these evolutionary stages because they must be properly managed in order to reap the benefits of cell implementation efforts. In the first stage, both human and technical problems exist; however human problems dominate – requiring conflict management skills to resolve. In the second stage, human problems improve, and technical problems persist, requiring formal problem-solving methods to resolve. Finally, in the third stage, both human and technical problems improve, and cells begin to perform at the optimal level.     

DelPhi Suite: New Developments and Review of Functionalities

Electrostatic potential, energies, and forces affect virtually any process in molecular biology, however, computing these quantities is a difficult task due to irregularly shaped macromolecules and the presence of water. Here, we report a new edition of the popular software package DelPhi along with describing its functionalities. The new DelPhi is a C++ object-oriented package supporting various levels of multiprocessing and memory distribution. It is demonstrated that multiprocessing results in significant improvement of computational time. Furthermore, for computations requiring large grid size (large macromolecular assemblages), the approach of memory distribution is shown to reduce the requirement of RAM and thus permitting large-scale modeling to be done on Linux clusters with moderate architecture. The new release comes with new features, whose functionalities and applications are described as well. © 2019 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.     

Construction of a three-dimensional supramolecular network of manganese(II) with an encapsulated croconate dianion

A three-dimensional supramolecular polymer of manganese(II), [{Mn(4,4-bipy)(H₂O)₄}(C₅O₅)(H₂O)₂] _n has been prepared and characterized by X-ray single crystal analysis. The polymer results from the mutual relationship of each coordination unit, [Mn(4,4-bipy)(H₂O)₄]²⁺ through H-bonding between crystalline water and the encapsulated croconate dianion. Solid state thermal investigation shows stepwise elimination of water molecules and the 4,4-bipyridine ligand.