Orbital and bonding anisotropy in a half-filled GaFeO3 magnetoelectric ferrimagnet

We investigated the orbital anisotropy of GaFeO3 using the Fe L2,3-edge x-ray magnetic circular dichroism and the polarization dependent O K-edge x-ray absorption spectroscopy. We found that the system shows a considerably large orbital momentum and anisotropic Fe-O bonding, which are unexpected in a half-filled d5 system such as GaFeO3. The orbital and bonding anisotropies, which turn out to be induced by the lattice distortions with exotic off-centering site movements, contribute the large magnetocrystalline energy and magnetoelasticity. These results provide critical clues on the microscopic understanding of the magnetoelectricity.     

Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes

[reaction: see text] The R(1) substituents at C(2) of the haloallylic sulfones 1 play a pivotal role in controlling the diastereoselectivity of the indium-mediated addition reaction to benzaldehyde to produce the homoallylic alcohols 3. The R(1) Me group of 1 prefers the chair form in the In-coordinated six-membered cyclic transition state to give anti-3a, and the R(1) Ph group of 1 favors the twist boat form to give syn-3n, both in a high 13:1 selectivity.     

Intracluster ion-molecule reactions of Ti+ with C2H5OH and CF3CH2OH clusters: influence of fluorine substituents on chemical reactivity

A laser ablation-molecular beam/reflectron time-of-flight mass spectrometric technique was used to investigate the ion-molecule reactions that proceed within Ti+(ROH)n (R = C2H5, CF3CH2) heterocluster ions. The mass spectra exhibit a major sequence of cluster ions with the formula Ti+(OR)m(ROH)n (m = 1, 2), which is attributed to sequential insertions of Ti+ into the O-H bond of C2H5OH or CF3CH2OH molecules within the heteroclusters, followed by H eliminations. The TiO+ and TiOH+ ions produced from the reactions of Ti+ with C2H5OH are interpreted as arising from insertion of Ti+ into the C-O bond, followed by C2H5 and C2H6 eliminations, respectively. When Ti+ reacted with CF3CH2OH, by contrast, considerable contributions from TiFOH+, TiF2+, and TiF2OH+ ions were observed in the mass spectrum of the reaction products, indicating that F and OH abstractions are the dominant product channels. Ab initio calculations of the complex of Ti+ with 2,2,2-trifluoroethanol show that the minimum energy structure is that in which Ti+ is attached to the O atom and one of the three F atoms of 2,2,2-trifluoroethanol, forming a five-membered ring. Isotope-labeling experiments additionally show that the chemical reactivity of heterocluster ions is greatly influenced by the presence of fluorine substituents and cluster size. The reaction energetics and formation mechanisms of the observed heterocluster ions are discussed.     

Spin dimer analysis of the magnetic structures of Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra

The spin exchange interactions of the magnetic oxides Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra were examined by performing spin dimer analysis on the basis of tight-binding electronic structure calculations. Although the shortest O...O distances between adjacent MO4 tetrahedra are longer than the van der Waals distance, our analysis shows that the super-superexchange interactions between adjacent MO4 tetrahedra are substantial and determine the magnetic structures of these oxides. In agreement with experiment, our analysis predicts a weakly interacting isolated AFM dimer model for both Ba3Cr2O8 and Ba3Mn2O8, the (0.0, 0.5, 0.0) magnetic superstructure for Na4FeO4, the (0.5, 0.0, 0.5) magnetic superstructure for Ba2CoO4, and the presence of magnetic frustration in Ba2CoO4. The comparison of the intra- and interdimer spin exchange interactions of Ba3Cr2O8 and Ba3Mn2O8 indicates that orbital ordering should be present in Ba3Cr2O8.     

An efficient synthesis of enantiomerically pure aromatic-fused N-containing heterocycles from common chiral aziridines

An efficient synthesis of enantiomerically pure aromatic-fused N-containing heterocycles was successfully achieved via Pd-catalyzed intramolecular C-N bond formation between the nitrogen originated from the aziridine and the halogen containing aromatic carbon. This reaction has a broad substrate scope to provide various enantiomerically pure (3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)methanols, 2-hydroxymethyl-1,2,3,4-tetrahydroquinolines and (1,2,3,4-tetrahydroquinoxalin-2-yl)methanols from common chiral aziridines in good yields.     

Duals of Frame Sequences

Frames provide unconditional basis-like, but generally nonunique, representations of vectors in a Hilbert space H. The redundancy of frame expansions allows the flexibility of choosing different dual sequences to employ in frame representations. In particular, oblique duals, Type I duals, and Type II duals have been introduced in the literature because of the special properties that they possess. A Type I dual is a dual such that the range of its synthesis operator is contained in the range of the synthesis operator of the original frame sequence, and a Type II dual is a dual such that the range of its analysis operator is contained in the range of the analysis operator of the original frame sequence. This paper proves that all Type I and Type II duals are oblique duals, but not conversely, and characterizes the existence of oblique and Type II duals in terms of direct sum decompositions of H, as well as characterizing when the Type I, Type II, and oblique duals will be unique. These results are also applied to the case of shift-generated sequences that are frames for shift-invariant subspaces of L ²(? ^d ).     

Arithmetic of the Ramanujan-Göllnitz-Gordon continued fraction

Text

We extend the results of Chan and Huang [H.H. Chan, S.-S. Huang, On the Ramanujan-Göllnitz-Gordon continued fraction, Ramanujan J. 1 (1997) 75-90] and Vasuki, Srivatsa Kumar [K.R. Vasuki, B.R. Srivatsa Kumar, Certain identities for Ramanujan-Göllnitz-Gordon continued fraction, J. Comput. Appl. Math. 187 (2006) 87-95] to all odd primes p on the modular equations of the Ramanujan-Göllnitz-Gordon continued fraction v(τ) by computing the affine models of modular curves X(Γ) with Γ=Γ₁(8)∩Γ₀(16p). We then deduce the Kronecker congruence relations for these modular equations. Further, by showing that v(τ) is a modular unit over Z we give a new proof of the fact that the singular values of v(τ) are units at all imaginary quadratic arguments and obtain that they generate ray class fields modulo 8 over imaginary quadratic fields.

Video

For a video summary of this paper, please visit http://www.youtube.com/watch?v=FWdmYvdf5Jg.     

Weyl eigenvalue asymptotics and sharp adaptation on vector bundles

This paper examines the estimation of an indirect signal embedded in white noise on vector bundles. It is found that the sharp asymptotic minimax bound is determined by the degree to which the indirect signal is embedded in the linear operator. Thus when the linear operator has polynomial decay, recovery of the signal is polynomial where the exact minimax constant and rate are determined. Adaptive sharp estimation is carried out using a blockwise shrinkage estimator. Application to the spherical deconvolution problem for the polynomially bounded case is made.     

Viscosity and dispersion state of magnetic suspensions

We investigate the viscosity behavior of a magnetic suspension in which magnetic particles are dispersed in a mixture of polyacrylic liquids. The size of magnetite particles is nearly 300 nm and the volume fraction of the magnetic particles is in the range of 0.003-0.03. The particle concentration dependence of the suspension viscosity yields the intrinsic viscosity [η], which varies from 25.6 at 5 s⁻¹ to 5.1 at 400 s⁻¹. The yield stress and the infinite shear viscosity of the suspension increase non-linearly as the particle concentration ? increases. We examine the effect of process conditions such as milling time and amount of dispersant on the viscosity behavior of the suspension. As milling time elapses, yield stress and low shear viscosity decrease and then reach constant values while the infinite shear viscosity remains constant. When oleic acid is added as a dispersant, the yield stress and low shear viscosity of the suspension show minimum values as the amount of oleic acid increases. These results agree with experimental results of sedimentation tests, which enable us to estimate the aggregate size of magnetic suspension. The yield stress and the low shear viscosity of the magnetic suspension are found to be useful in evaluating the dispersion state of the magnetic suspension.     

Density functional analysis of the magnetic structures of Sr2MGe2O7 (M=Mn,Co)

To examine the difference between the magnetic structures of Sr₂MGe₂O₇ (M=Mn, Co), we evaluated their spin exchange interactions by performing energy-mapping analysis based on density functional theory calculations. The calculated intra- and inter-layer spin exchanges correctly predict the G-type and C-type antiferromagnetic structures of Sr₂MnGe₂O₇ and Sr₂CoGe₂O₇, respectively, and the Curie–Weiss temperatures estimated from these spin exchanges are also in good agreement with the experiment. The ∥c and ⊥c orientations of the spins in the ordered magnetic structures of Sr₂MnGe₂O₇ and Sr₂CoGe₂O₇, respectively, were also examined by considering spin–orbit coupling.