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Parts of study to compliment the machine associated with radiological defense.
The potential of the perovskite system Nd1-xSr x CoO3-δ (x = 1/3 and 2/3) as cathode material for solid oxide fuel cells (SOFCs) has been investigated via detailed structural, electrical, and electrochemical characterization. The average structure of x = 1/3 is orthorhombic with a complex microstructure consisting of intergrown, adjacent, perpendicularly oriented domains. This orthorhombic symmetry remains throughout the temperature range 373-1073 K, as observed by neutron powder diffraction. A higher Sr content of x = 2/3 leads to stabilization of the cubic perovskite with a homogeneous microstructure and with a higher oxygen vacancy content and cobalt oxidation state than the orthorhombic phase at SOFC operation temperature. Both materials are p-type electronic conductors with high total conductivities of 690 and 1675 S·cm-1 at 473 K in air for x = 1/3 and 2/3, respectively. Under working conditions, both compounds exhibit similar electronic conductivities, since x = 2/3 loses more oxygen on heating than x = 1/3, associated with a greater loss of p-type charger carriers. However, composite cathodes prepared with Nd1/3Sr2/3CoO3-δ and Ce0.8Gd0.2O2-δ present lower ASR values (0.10 Ω·cm2 at 973 K in air) than composites prepared with Nd2/3Sr1/3CoO3-δ and Ce0.8Gd0.2O2-δ (0.34 Ω·cm2). The high activity for the oxygen electrochemical reaction at intermediate temperatures is likely attributable to a large disordered oxygen-vacancy concentration, resulting in a very promising SOFC cathode for real devices.Two stereoisomers of pentacoordinate iridium(III) hydridochloride with triptycene-based PC(sp3)P pincer ligand (1,8-bis(diisopropylphosphino)triptycene), 1 and 2, differ by the orientation of hydride ligand relative to the bridgehead ring of triptycene. According to DFT/B3PW91/def2-TZVP calculations performed, an equatorial Cl ligand can relatively easily change its position in 1, whereas that is not the case in 2. Both complexes 1 and 2 readily bind the sixth ligand to protect the empty coordination site. Variable temperature spectroscopic (NMR, IR, and UV-visible) studies show the existence of two isomers of hexacoordinate complexes 1·MeCN, 2·MeCN, and 2·Py with acetonitrile or pyridine coordinated trans to hydride or trans to metalated C(sp3), whereas only the equatorial isomer is found for 1·Py. These complexes are stabilized by various intramolecular noncovalent C-H···Cl interactions that are affected by the rotation of isopropyls or pyridine. The substitution of MeCN by pyridine is slow yielding axial Py complexes as kinetic products and the equatorial Py complexes as thermodynamic products with faster reactions of 1·L. Ultimately, that explains the higher activity of 1 in the catalytic alkenes' isomerization observed for allylbenzene, 1-octene, and pent-4-enenitrile, which proceeds as an insertion/elimination sequence rather than through the allylic mechanism.The separation and management of nuclear waste is one of the problems that needs to be solved urgently, so finding a new radiation-proof and durable extractant to deal with nuclear waste is a difficult but desirable task. Since the successful isolation of the first pentavalent plutonium crown ether complex recently (Wang et al. CCS Chem.2020, 2, 425-431), complexes with actinyl(V/VI) inserted into the cavity of 18-crown-6 ether (oxo-18C6), as well as their bonding character, need to be explored. Here we present a series of novel crown ether complexes containing actinyl(V/VI) and oxo-18C6 via computational prediction and analysis. On the basis of the calculations, actinyl(V/VI) are thermodynamically feasible and can be stabilized by oxo-18C6 ligand via six dative bonds between An ions and the oxo-18C6 O atoms in the "insertion" structure of [AnO2(18C6)]2+/+ complexes. The stability of actinyl(VI) species generally falls at minor actinides, ascribed to the reduced highest possible oxidation states of curium, which is mainly attributed to the mixing of bonding orbitals and non-bonding orbitals as well as the increase of occupation on partially 5f antibonding orbitals. It is found that the interactions between the actinyl(V/VI) and oxo-18C6 are mainly electronic interactions, with the well-known covalency contributions generally decreasing from uranium to curium due to energy degeneracy and spatial orbital contraction. This work would give a basic understanding of the coordination chemistry of actinyl(V/VI), which also provides inspirations on the design of new extractants for actinide separations.Two uranium(III) anilido complexes were synthesized, Tp*2U(NH-C6H4-p-terpyridine) (2-terpy) and Tp*2U(NH-C6H4-p-CH3) (2-ptol), where Tp* = hydrotris(3,5-dimethylpyrazolyl)borate, by protonation of Tp*2UBn (1-Bn; Bn = benzyl) with 4-[2,6-di(pyridin-2-yl)pyridin-4-yl]benzenamine or p-toluidine, respectively. learn more Conversion to the respective uranium(IV) imido species was possible by oxidation and deprotonation, forming Tp*2U(N-C6H4-p-terpyridine) (3-terpy) and Tp*2U(N-C6H4-p-CH3) (3-ptol). These compounds were characterized by multinuclear NMR spectroscopy, IR spectroscopy, electronic absorption spectroscopy, and X-ray crystallography.Three-dimensional highly connected isonicotinic acid-base metal-organic frameworks (MOFs), [CoII6(μ3-OH)2(in)7(HCOO)3H2O]·4DMF (1) and [MnII3(μ3-OH)(in)3(CH3COO)2] (2) (Hin = isonicotinic acid), have been successfully prepared. Compounds 1 and 2 were constructed from planar Co6 cluster SBUs or rare 1D manganese-hydroxyl chain SBUs, respectively. Both SBUs contain triangular MII3(OH) (M = Co and Mn) central units, which are connected by rare syn,anti,syn,anti- and syn,syn,anti-coordinated formic acid or acetic acid. Both compounds 1 and 2 have good thermal stability, while compound 2 also exhibits an extraordinarily high moisture stability. Magnetic studies demonstrate that 1 shows antiferromagnetic behavior, and 2 exhibits spin-canting antiferromagnetic ordering with soft-magnetic behavior.A comprehensive strategy for the morphological control of octahedral and spindle Fe-based metal-organic frameworks (Fe-MOFs) via microwave-assisted adjustment is proposed in this research. Afterward, in situ copyrolysis under N2 atmosphere contributes to the fabrication of two shape-maintained FeF3·0.33H2O nanostructures (named O-FeF3·0.33H2O and S-FeF3·0.33H2O, respectively) with confined hierarchical porosity and graphitized carbon skeleton. The lithium storage performances for the MOF-derived octahedral O-FeF3·0.33H2O and spindle S-FeF3·0.33H2O composites are investigated, and the prospective lithium storage mechanism is discussed. As a result, the main product of the porous O-FeF3·0.33H2O structure is found to be a promising cathode material for lithium ion batteries owing to its advantageous electrochemical capability. Even after being cycled over 1000 times at 2 C (1 C = 237 mAh g-1), the capacity attenuation rate of the as-prepared O-FeF3·0.33H2O electrode is as low as 0.039% per cycle. The combination of proper octahedral morphology and highly graphitized carbon modification can not only enhance the conductivity of the cathode but also promote the diffusion of Li+ effectively.
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