2019 March - 20 articles
The DEER (double electron-electron resonance, also called PELDOR) experiment, which probes the dipolar interaction between two spins and thus reveals distance information, is an important tool for structural studies. In recent years, shaped pump puls...
The unsymmetrical ligand 1-(2-aminophenyl)-4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazacyclononane (L6) has been prepared and characterized by NMR spectroscopy. The L6 ligand is based on the triazamacrocycle (tacn) ring that is functionalized by two flex...
By using [Ru2(O2CC3H7)4Cl]n (1) as a starting material, nBu4N[Ru2(O2CC3H7)4Cl2] (nBu4N+ = tetra(n-butyl)ammonium cation) (2) and [Ru2(O2CC3H7)4(H2O)2]BF4 (3) were prepared. The lantern-type dinuclear structures with axial chloride ions or water molec...
The theoretical equations of Zeeman energy levels, including the zero-field energies and the first- and second-order Zeeman coefficients, have been obtained in closed form for nine states of the
We briefly summarize the results from a set of experiments designed to demonstrate the effects of high magnetic fields applied during thermal annealing of amorphous Nd2Fe14B produced through melt-spinning. A custom-built differential scanning calorim...
Over the past 25 years, magnetic actinide complexes have been the object of considerable attention, not only at the experimental level, but also at the theoretical one. Such systems are of great interest, owing to the well-known larger spin–orb...
Tetranuclear hetero-metal MnIII2NiII2 complexes, [Mn2Ni2(L)4(OAc)2] (1) and [Mn2Ni2(L)4(NO3)2] (2) [H2L = N-(2-hydroxymethylphenyl)-5,6-benzosalicylideneimine], have been synthesized and characterized by X-ray crystal structure analyses, infrared spe...
Oxidative stress, defined as a misbalance between the production of reactive oxygen species and the antioxidant defenses of the cell, appears as a critical factor either in the onset or in the etiology of many pathological conditions. Several methods...
Reactive oxygen species (ROS) are produced by living organisms as a result of normal cellular metabolism. Under normal physiological conditions, oxidative damage is prevented by the regulation of ROS by the antioxidant network. However, increased ROS...
Two penta-coordinate CoII complexes with formulae [Co(14-TMC)Cl](BF4) (1, 14-TMC = 1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) and [Co(12-TBC)Cl](ClO4)·(MeCN) (2, 12-TBC = 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane) were s...
Two phenyl ester and three benzyl ester derivatives have been synthesized from 2,6-di(pyrazol-1-yl)pyridine-4-carboxylic acid and the appropriate phenyl or benzyl alcohol using N,N′-dicyclohexylcarbodiimide as the coupling reagent. Complexation...
A novel mononuclear iron(II) complex with a linear hexadentate N6 ligand, containing two 1,2,3-triazole moieties, [Fe(L2-3-2Ph)](AsF6)2 (1), was synthesized (L2-3-2Ph = bis[N-(1-Phenyl-1H-1,2,3-triazol-4-yl)methylidene-2-aminoethyl]-1,3-propanediamin...
Tetranuclear MnII2MnIII2 complexes with 1,3-bis(5-bromo-3-metoxysalicylidenaminomethyl)-2-propanol (H3bmsap) and 1,3-bis(5-chloro-3-methoxysalicylidenaminomethyl)-2-propanol (H3cmsap), [Mn4(bmsap)2(CH3CO2)3(CH3O)] (3) and [Mn4(cmsap)2(CH3CO2)3(CH3O)]...
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The correlation between the grain refining effect of TiC on the microstructure of Pr2Co14B melt-spun ribbons and the magnetic properties is presented in this study. TiC enabled greater control of microstructure both in the as-spun and heat treated Pr...
A cobalt(III)–manganese(II) heterometallic dinuclear complex, [MnII{CoIII(µ-Himn)3}Cl2(CH3OH)], was prepared by a metalloligand approach. X-ray crystallographic analysis indicated that the metalloligand [CoIII(Himn)3] underwent mer/fac ge...
A viable qubit must have a long coherence time
The prediction of paramagnetic NMR (pNMR) chemical shifts in molecules containing heavy atoms presents a significant challenge to computational quantum chemistry. The importance of meeting this challenge lies in the central role that NMR plays in the...
We studied the structural, electronic, and magnetic properties of a recently synthesized Ni(II)-quinonoid complex upon adsorption on a magnetic Co(001) substrate. Our density functional theory
The 19F{1H} saturation transfer difference (STD) method was improved for sensitive 19F detection using a human serum albumin-diflunisal complex. Because NMR (nuclear magnetic resonance) experiments with 19F detection are feasible for the selective de...
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