903 research outputs found
Synthesis of H<sub>x</sub>Li<sub>1-x</sub>LaTiO<sub>4</sub> from quantitative solid-state reactions at room temperature
The layered perovskite HLaTiO4 reacts stoichiometrically with LiOH·H2O at room temperature to give targeted compositions in the series HxLi1-xLaTiO4. Remarkably, the Li+ and H+ ions are quantitatively exchanged in the solid state and this allows stoichiometric control of ion exchange for the first time in this important series of compounds
Study of Magnetic Properties of A_2B^'NbO_6 (A=Ba,Sr, (BaSr): and B^'=Fe and Mn) double perovskites
We have studied the magnetic properties of Ba_2FeNbO_6 and Ba_2MnNbO_6. it is
seen that Ba_2FeNbO_6 is an antiferromagnet with a weak ferromagnetic behaviour
at 5K while Ba_2MnNbO_6 shows two magnetic transitions one at 45 K and the
other at 12K. Electron spin resonance (ESR) measurements at room temperature
show that the Mn compound does not show any Jahn-Teller distortion. It is also
seen that the Neel temperature of the A_2FeNbO_6 (A=Ba,Sr, BaSr) compounds do
not vary significantly. However variations in the average A-site ionic radius
influence the formation of short range correlations that persist above T_N.Comment: 10 oages, 5 figures, MMM, to appear in J.Appl.Phy
Tuning magnetic frustration on the diamond lattice of the A-site magnetic spinels CoAlGaO: Lattice expansion and site disorder
The spinels CoBO with magnetic Co ions on the diamond lattice
A site can be frustrated because of competing near-neighbor () and
next-near neighbor () interactions. Here we describe attempts to tune the
relative strengths of these interactions by substitution on the non-magnetic
B-site. The system we employ is CoAlGaO, where Al is
systematically replaced by the larger Ga, ostensibly on the B site. As
expected, Ga substitution expands the lattice, resulting in Co atoms on the
A-site being pushed further from one other and thereby weakening magnetic
interactions. In addition, Ga distributes between the B and the A site in a
concentration dependent manner displacing an increasing amount of Co from the A
site with increasing . This increased inversion, which is confirmed by
neutron diffraction studies carried out at room temperature, affects magnetic
ordering very significantly, and changes the nature of the ground state.
Modeling of the magnetic coupling illustrates the complexity that arises from
the cation site disorder.Comment: 9 pages, 10 figure
Fluorescent oxide nanoparticles adapted to active tips for near-field optics
We present a new kind of fluorescent oxide nanoparticles with properties well
suited to active-tip based near-field optics. These particles with an average
diameter in the range 5-10 nm are produced by Low Energy Cluster Beam
Deposition (LECBD) from a YAG:Ce3+ target. They are studied by transmission
electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), classical
photoluminescence, cathodoluminescence and near-field scanning optical
microscopy (NSOM). Particles of extreme photo-stability as small as 10 nm in
size are observed. These emitters are validated as building blocks of active
NSOM tips by coating a standard optical tip with a 10 nm thick layer of
YAG:Ce3+ particles directly in the LECBD reactor and by subsequently performing
NSOM imaging of test surfaces.Comment: Changes made following Referee's comments; added references; one
added figure. See story on this article at:
http://nanotechweb.org/cws/article/tech/3606
An effective spin-orbital Hamiltonian for the double perovskite SrFeW O: Derivation of the phase diagram
We formulate a superexchange theory of insulating double-perovskite compounds
such as SrFeWO. An effective spin-orbital Hamiltonian is derived in the
strong coupling limit of Hubbard model for d-electrons on Fe and W ions. The
relevant degrees of freedom are the spins S=2 and the three-fold orbital
degeneracy of Fe-ions. W-sites are integrated out by means of a
fourth-order perturbative expansion. The magnetically and orbitally ordered
ground states of the effective Hamiltonia n are discussed as a function of the
model parameters. We show that for realistic values of such parameters the
ground state is antiferromagnetic, as experimentally observed. The order found
is of type-II, consisting of \{111\} ferromagnetic planes stac ked
antiferromagnetically. The orbital order energy scale found is one order of
magnitude less than the spi n one.Comment: 12 pages, 4 figure
Anion-Dependent Construction of Two Hexanuclear 3D-4F Complexes with a Flexible Schiff Base Ligand
Two hexanuclear 3d-4f Ni-Eu and Cu-Eu complexes [Eu4Ni2L2(OAc)(12)(EtOH)(2)] (1) and [Eu4Cu2L2(OAc)(12)]center dot 2H(2)O (2) are reported which are formed from the salen type Schiff-base ligand H2L (H2L = N,N'-bis(3-methoxysalicylidene)butane-1,4-diamine). In both complexes, four Eu3+ cations are bridged by eight OAc- groups and the chain is terminated at each end by two ML (M = Ni and Cu) units. The structures of 1 and 2 were determined by single crystal X-ray crystallographic studies and the luminescence properties of the free ligand and metal complexes in solution were measured.HHMI Undergraduate Science Education Award 52005907National Science Foundation CHE-0629136, CHE-0741973, CHE-0847763Welch Foundation F-1631, F-816Hong Kong Baptist University FRG/06-07/II-16Hong Kong Research Grants Council HKBU 202407Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD)Open Foundation of Jiangsu Province Key Laboratory of Fine Petrochemical Technology KF1005UT-CNM and UT-AustinChemistr
Lattice Distortions Around a Tl+ Impurity in NaI:Tl+ and CsI:Tl+ Scintillators. An Ab Initio Study Involving Large Active Clusters
Ab initio Perturbed Ion cluster-in-the-lattice calculations of the impurity
centers NaI:Tl+ and CsI:Tl+ are pressented. We study several active clusters of
increasing complexity and show that the lattice relaxation around the Tl+
impurity implies the concerted movement of several shells of neighbors. The
results also reveal the importance of considering a set of ions that can
respond to the geometrical displacements of the inner shells by adapting
selfconsistently their wave functions. Comparison with other calculations
involving comparatively small active clusters serves to assert the significance
of our conclusions. Contact with experiment is made by calculating absorption
energies. These are in excellent agreement with the experimental data for the
most realistic active clusters considered.Comment: 7 pages plus 6 postscript figures, LaTeX. Submmited to Phys, Rev.
FragmentStore—a comprehensive database of fragments linking metabolites, toxic molecules and drugs
Consideration of biomolecules in terms of their molecular building blocks provides valuable new information regarding their synthesis, degradation and similarity. Here, we present the FragmentStore, a resource for the comparison of fragments found in metabolites, drugs or toxic compounds. Starting from 13 000 metabolites, 16 000 drugs and 2200 toxic compounds we generated 35 000 different building blocks (fragments), which are not only relevant to their biosynthesis and degradation but also provide important information regarding side-effects and toxicity. The FragmentStore provides a variety of search options such as 2D structure, molecular weight, rotatable bonds, etc. Various analysis tools have been implemented including the calculation of amino acid preferences of fragments’ binding sites, classification of fragments based on the enzyme classification class of the enzyme(s) they bind to and small molecule library generation via a fragment-assembler tool. Using the FragmentStore, it is now possible to identify the common fragments of different classes of molecules and generate hypotheses about the effects of such intersections. For instance, the co-occurrence of fragments in different drugs may indicate similar targets and possible off-target interactions whereas the co-occurrence of fragments in a drug and a toxic compound/metabolite could be indicative of side-effects. The database is publicly available at: http://bioinformatics.charite.de/fragment_store
Structural and Luminescence Properties of Silica-Based Hybrids Containing New Silylated-Diketonato Europium(III) Complex
A new betadiketonate ligand displaying a trimethoxysilyl group as grafting function and a diketone moiety as complexing site (TTA-Si = 4,4,4-trifluoro-2-(3-trimethoxysilyl)propyl)-1-3-butanedione (C4H3S)COCH[(CH2)3Si(OCH3)3]COCF3) and its highly luminescent europium(III) complex [Eu(TTA-Si)3] have been synthesized and fully characterized. Luminescent silica-based hybrids have been prepared as well with this new complex grafted on the surface of dense silica nanoparticles (28 (+/-3 nm) or on mesoporous
silica particles. The covalent bonding of Eu(TTA-Si)3 inside the core of uniform silica
nanoparticles (40 (+/- 5 nm) was also achieved. Luminescence properties are discussed in relation to the europium chemical environment involved in each of the three hybrids. The general methodology proposed allowed high grafting ratios and overcame chelate release and tendency to agglomeration, and it could be applied to any silica matrix (in the core or at the surface, nanosized or not, dense or mesoporous) and therefore numerous applications such as luminescent markers and luminophors could be foreseen
- …