Magnetic properties and hydrostatic pressure effect on the curie temperature of (Co,Mn)2B amorphous alloys

The temperature dependence of magnetization and magnetic susceptibility and hydrostatic pressure effect on the Surie temperature (dT_c/dP) are measured for (Co_1-xMn_x)₂B (0?x?0.4) amorphous alloys and the results are compared with those of crystalline compounds with the same composition. The Curie temperature decreases linearly with an increasing Mn content but magnetization shows a maximum around x=0.15. The reciprocal magnetic susceptibility of all the prepared alloys obeys the Curie-Weiss law above T_c. The magnitude of the negative value of dT_c/dP decreases linearly with increasing x from about 1.1 K/kbar (x=0) to zero (x=0.4), the composition dependence of which is opposite to that of the crystalline compound. The composition dependence of the average magnetic moment per transition metal atom and the Curie temperature and dT_c/dP are analysed on the basis of the local environment and the pair order interaction mode, respectively.     

Invar effects on some iron-base amorphous alloys

The thermal expansion and magnetic properties of Fe-B and Fe-P amorphous alloys prepared from melts have been investigated. These amorphous alloys show distinct Invar characteristics. heir magnetic properties are also very similar to those of Fe-Ni crystalline Invar alloys; that is, the high-field susceptability and forced-volume magnetostriction are remarkably large, the magnetic moment per Fe atom does not increase linearly, the Curie temperature decreases with a decrease in concentration of B or P, and their reduced their magnetization curves are much flatter than those of crystalline pure Fe.     

On tensor products of -very ample line bundles

In this paper, we show that the tensor product of -very ample and -very ample line bundles on a complete algebraic variety is -very ample.

     

Invar-type new ferromagnetic amorphous Fe-B alloys

Measurements of magnetization, electrical resistivity, thermal expansion and differential thermal change were made on amorphous Fe_100-xB_x (9 ≦ X ≦ 21) alloys prepared by rapid quenching from the liquid state.With decreasing boron content in the alloys, the Curie temperature falls remarkably, while the magnetic moment increases sluggishly. The thermal expansion curves exhibit the invar characteristics below the Curie temperature due to a large positive spontaneous volume magnetostriction, and the reduced magnetization curves decrease much more rapidly with increasing temperature than those of other ferromagnetic amorphous alloys.     

The role of the doubly excited configurations in the π-electronic structure of the croconate anion

The electronic structure of the croconate anion is investigated by the semi-empirical VESCF method with CI including up to the doubly excited configurations. The effect of the doubly excited configuration is quite large in the lowest singlet state which turns out to be a ground state, while the calculation including only singly excited configurations produces a triplet ground state. The calculated first transition energy (¹ A₁ ¹ E₁) is in fair agreement with the observed value. The interpretation of the transition moment in case that the doubly excited configurations are included is also discussed.

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Zusammenfassung Die Elektronenstruktur des Croconat-Anions wurde mit der halbempirischen VESCF-Methode mit Konfigurationswechselwirkung, die bis zu zweifach angeregte Konfigurationen einschloß, untersucht. Der Einfluß der zweifach angeregten Konfigurationen ist im niedrigsten Singulettzustand, der sich als Grundzustand herausstellt, sehr stark. Schließt die Rechnung hingegen nur einfach angeregte Konfigurationen ein, so erhält man einen Tripletgrundzustand. Die berechnete erste Übergangsenergie (¹ A₁ ¹ E₁ stimmt gut mit dem beobachteten Wert überein. Ebenso wird die Interpretation des Übergangsmomentes für den Fall, daß auch zweifach angeregte Konfigurationen berücksichtigt werden, diskutiert.

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Resumé La structure électronique de l'anion croconique est étudieé par la méthode VESCF semi-empirique avec IC, configurations diexcitées comprises. L'effet des configurations diexcitées est très important sur l'état singulet le plus has qui est un état fundamental, alors que si l'on ne tient compte que des configurations monoexcitées on obtient un état fundamental triplet. La premiére énergie de transition calculée (¹ A₁ ¹ E₁ est en bon accord avec la valeur observee. Le moment de transition est interprété dans les cas où l'on tient compte des configurations diexcitées.

     

High-spin radical cations of a dendritic oligoarylamine

A new dendritic oligoarylamine, N,N,N',N',N",N"-hexakis[4-(di-4-anisylamino)phenyl]- 1,3,5-benzenetriamine (BTA) 2, which contains a 1,3,5-benzenetriamine molecular unit as an potential precursor of a high-spin molecule and three oligoarylamine moieties as spin-carrying units surrounding the core BTA, has been prepared by the sequential palladium-catalyzed amination reactions. The redox property has been investigated by cyclic voltammetry, and the highly charged states up to the hexacation are accessible to 2. The polycationic high-spin species have been generated by stepwise chemical oxidation, and the electronic structures have been examined in detail by the continuous wave (CW) and pulsed ESR spectroscopy in comparison with the previously studied 1. The pulsed ESR technique enabled us to determine the definite spin multiplicity of the generated polycationic species of 2. It was confirmed that the dominant oxidized species observed by the two- and three-electron oxidations were assigned to the spin triplet 2(2+) and the spin quartet 2(3+), respectively. Moreover, these high-spin polycationic species turned out to be far more stable as compared to 1, and the isolation of 2(3+) as the SbCl(6)(-) salt has been accomplished. The temperature dependence of the magnetic susceptibility for the 2(3+)(SbCl(6)(-))(3) salt revealed that the intramolecular ferromagnetic interaction exists in 2(3+), and moreover, the trication 2(3+) was found to be deformed in the solid state.     

A theoretical study on the third-order nonlinear optical properties of pi-conjugated linear porphyrin arrays

By using the Pariser-Parr-Pople (PPP) theory, the second hyperpolarizabilities (gamma) have been calculated for various pi-conjugated porphyrin arrays including "porphyrin tapes": the meso-beta doubly linked porphyrin array Dn and the meso-meso, beta-beta, beta-beta triply linked array Tn. The validity of the PPP theory is checked via a comparison with both the ab initio Hartree-Fock and the B3LYP theories in the case of porphyrin monomers and dimers. It is found that Dn and especially Tn exhibit much more remarkable evolution of gamma/n along with an increasing number of porphyrin units n compared with the butadiyne-bridged array, Yn. As a result, the static third-order susceptibilities chi((3)) of Dn and Tn are expected to be 1 and 3 orders of magnitude larger than that of Yn in the limit n --> infinity, and these advantages of porphyrin tapes become more prominent by taking into account geometrical relaxations of porphyrin units in the arrays. The structure-property relationship in various conjugated polymers including porphyrin arrays is interpreted on the basis of the scaling behaviors of chi((1)) and chi((3)) with the effective conjugation length (ECL) as well as the reciprocal HOMO-LUMO energy gap (1/E(g)). In particular, from the master plot of chi((3)) (and even chi((1))) versus 1/E(g), the pi-conjugation of Tn is noted to indeed be exceptional, because its large susceptibilities cannot be expected from the scaling behavior of ordinary one-dimensional conjugated systems. We also point out that the theory of scaling relationship, chi((3)) approximately 1/E(g)(x)(), is significantly improved by taking into account electron-electron interactions based on the comparison with experiments.     

Effect of pressure on the vibrational structure of insensitive energetic material 5-nitro-2,4-dihydro-1,2,4-triazole-3-one

The Raman spectra of alpha form 5-nitro-2,4-dihydro-1,2,4-triazole-3-one (alpha-NTO, space group P) were measured in a high-pressure vessel diamond anvil cell (DAC). The pressure was increased to 27.6 GPa. In general, Raman bands show a blue shift because of the nature of the molecule packing as a high-pressure effect, but some particular bands exhibited a red shift, disappearance, split, or slight shifting in our experiments. Those red-shifting bands concerning hydrogen bonds, i.e., carbonyl and amino groups, are likely to work as a stabilizer against stimuli to the molecule or crystal. This stabilizing nature might characterize the insensitivity of NTO. Molecular dynamic (MD) calculations were performed to reveal the high-pressure effect of the alpha-NTO crystal. The coordinates of individual atoms in the crystal structure were obtained using X-ray diffraction analysis. The pressure dependence of the power spectra of the correlation functions of the C=O bond length in NTO was calculated. A unique high-pressure effect of the alpha-NTO crystal was found on the power spectra. The peak frequency in the power spectrum of the C=O stretching vibration exhibited a red shift with an increase in pressure to 10.0 GPa, while the peak intensity considerably decreased under the same pressure process, because this bond length increased with an increase in pressure to 10.0 GPa. At a pressure of >20.0 GPa, a blue shift appeared. These results of the MD calculations are in good agreement with our experimental data.     

Three-dimensional susceptibility-weighted imaging at 3 T using various image analysis methods in the estimation of grading intracranial gliomas

Object

Although three-dimensional (3D), high-spatial resolution susceptibility-weighted imaging (SWI) appears to be valuable in the evaluation of central nervous system gliomas, several evaluation methods are proposed in the literature. The purpose of this study was to evaluate the use of 3D SWI for grading intracranial gliomas with various analysis methods.

Materials and Methods

Twenty-three patients suspected of having gliomas participated in this study. SWI was performed in addition to conventional MR sequences. In 15 cases, post-gadolinium enhanced SWI was also obtained. Imaging evaluation criteria were conventional grade, hypointensity ratio in the tumor-dominant structure of hypointensity on SWI (hemorrhage or vascular structure) and presence of abnormal enhancement surrounding the tumor.

Results

Mean grading scores of conventional grade showed no statistically significant difference among WHO grades. Mean grading scores of hypointensity ratios in the tumor were higher for WHO Grades 3 and 4 than for lower grade tumors (P=.05, Mann–Whitney U test). Hemorrhagic foci were more frequently seen in the higher grade tumor. Post-contrast susceptibility-weighted images of five of 11 WHO Grade 3 and 4 cases showed bright enhancement surrounding the tumor, suggesting a breakdown of the blood–brain barrier.

Conclusions

SWI at 3 T may be a useful method to analyze the structural characteristics of gliomas and to evaluate pathology in vivo. Assessment of hypointensity ratios in the glioma was the most preferable method in grading glioma. However, more studies, specifically concerning a suitable method for image analysis, are needed to establish SWI at 3 T as a useful tool in clinical routine.