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31.
Tsuge M Hamatani S Kawai A Tsuji K Shibuya K 《Physical chemistry chemical physics : PCCP》2006,8(2):256-263
The D(1)-D(0) transitions of diphenylmethyl (DPM) and chlorodiphenylmethyl (CDPM) radicals were studied by laser induced fluorescence (LIF) spectroscopy in a supersonic jet. Laser induced fluorescence excitation and dispersed fluorescence (DF) spectra were obtained for DPM and CDPM radicals produced by ArF excimer laser (193 nm) photolyses of their chlorides. With the aid of the density functional theory (DFT) calculation, vibronic bands are assigned by comparing the observed LIF excitation spectra of the jet-cooled radicals with the single vibronic level DF spectra. Low-frequency vibrations of 55 and 53 cm(-1) in the ground and excited states, respectively, are assigned to the symmetric phenyl torsional mode of the DPM radical. The geometries of DPM in the ground and excited states are discussed with regards to observed spectra and DFT calculations. Similarly for the CDPM radical, symmetric phenyl torsional and Ph-C-Ph bending modes are assigned and the halogen-substitution effect in equilibrium geometry is discussed. 相似文献
32.
Designed ferromagnetic, ferroelectric Bi(2)NiMnO(6) 总被引:1,自引:0,他引:1
Azuma M Takata K Saito T Ishiwata S Shimakawa Y Takano M 《Journal of the American Chemical Society》2005,127(24):8889-8892
A newly designed ferromagnetic, ferroelectric compound, Bi(2)NiMnO(6), was prepared by high-pressure synthesis at 6 GPa. The crystal structure, as determined by synchrotron X-ray powder diffraction, is a heavily distorted double perovskite with Ni(2+) and Mn(4+) ions ordered in a rock-salt configuration. The presence of 6s(2) lone pairs of Bi(3+) ions and the covalent Bi-O bonds give ferroelectric properties with T(CE) of 485 K, while -Ni(2+)-O-Mn(4+)-O-Ni(2+)- magnetic paths lead to a ferromagnetism with T(CM) of 140 K. This simple material design to distribute two magnetic elements with and without e(g) electrons on B sites of Bi- and Pb-based perovkites can be applied to other Bi(2)M(2+)M'(4+)O(6) and Pb(2)M(3+)M'(5+)O(6) systems to search for newer ferromagnetic ferroelectrics. 相似文献
33.
Shoji Kozuka Yukari Yokote Kazuhide Abe Masaru Hayashi Hideki Matsunaga 《Fresenius' Journal of Analytical Chemistry》1995,351(8):801-802
The determination of impurities in SrTiO3 by ICPMS was investigated. The sample was decomposed with hydrochloric and hydrofluoric acids in a PTFE pressure vessel. The internal standard method using Au was selected to eliminate an ion count suppression by the Sr and Ti matrix. Impurities at sub g/ml level in SrTiO3 were determined. The detection limits were in the range of 0.008 to 0.01 g/g. 相似文献
34.
Masashi Gotoh Masanori Tachikawa Kotaro Ryuo Kotoku Sasagane Kazunari Suzuki Kazuhide Mori Shinichiro Nakamura 《International journal of quantum chemistry》2005,105(3):225-231
We have presented the explicit formulas for first and second derivatives of A and B matrices, appearing in the random phase approximation (RPA), with the aid of Lagrangian technique. Owing to the 2n + 1 rule, the Lagrangian approach is more efficient than the conventional approach to evaluate the higher‐order matrix elements. We have confirmed the validity of our formulation by demonstrating the geometry optimization of the first‐excited singlet states of formaldehyde, ethylene, and 1‐amino‐3‐propenal molecules. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
35.
Koike K Okoshi N Hori H Takeuchi K Ishitani O Tsubaki H Clark IP George MW Johnson FP Turner JJ 《Journal of the American Chemical Society》2002,124(38):11448-11455
We report herein the mechanism of the photochemical ligand substitution reactions of a series of fac-[Re(X(2)bpy)(CO)(3)(PR(3))](+) complexes (1) and the properties of their triplet ligand-field ((3)LF) excited states. The reason for the photostability of the rhenium complexes [Re(X(2)bpy)(CO)(3)(py)](+) (3) and [Re(X(2)bpy)(CO)(3)Cl] (4) was also investigated. Irradiation of an acetonitrile solution of 1 selectively gave the biscarbonyl complexes cis,trans-[Re(X(2)bpy)(CO)(2)(PR(3))(CH(3)CN)](+) (2). Isotope experiments clearly showed that the CO ligand trans to the PR(3) ligand was selectively substituted. The photochemical reactions proceeded via a dissociative mechanism from the (3)LF excited state. The thermodynamical data for the (3)LF excited states of complexes 1 and the corrective nonradiative decay rate constants for the triplet metal-to-ligand charge-transfer ((3)MLCT) states were obtained from temperature-dependence data for the emission lifetimes and for the quantum yields of the photochemical reactions and the emission. Comparison of 1 with [Re(X(2)bpy)(CO)(3)(py)](+) (3) and [Re(X(2)bpy)(CO)(3)Cl] (4) indicated that the (3)LF states of some 3- and 4-type complexes are probably accessible from the (3)MLCT state even at ambient temperature, but these complexes were stable to irradiation at 365 nm. The photostability of 3 and 4, in contrast to 1, can be explained by differences in the trans effects of the PR(3), py, and Cl(-) ligands. 相似文献
36.
Yamaguchi H Tsubouchi K Kawaguchi K Horita E Harada A 《Chemistry (Weinheim an der Bergstrasse, Germany)》2004,10(23):6179-6186
Peroxidase activity of a complex of water-soluble cationic metalloporphyrin with anti-cationic porphyrin antibody is reported. Antibody 12E11G, which was prepared by immunization with a conjugate of 5-(4-carboxyphenyl)-10,15,20-tris(4-methylpyridyl)porphine iodide (3MPy1C), bound to tetramethylpyridylporphyrin iron complex (FeIII-TMPyP) with the dissociation constant of 2.6 x 10(-7) M. The complex of antibody 12E11G with FeIII-TMPyP catalyzed oxidation of pyrogallol, catechol, and guaiacol. A Lineweaver-Burk plot for the oxidation of pyrogallol catalyzed by the FeIII-TMPyP-antibody complex showed Km=8.6 mM and kcat=680 min(-1). Under the same conditions, Km and kcat for horseradish peroxidase (HRP) were 0.8 mM and 1750 min(-1), respectively. Although the binding interaction of the antibody to the substrates was one order lower than that of native HRP, the peroxidase activity of this system was in the same order of magnitude as that of HRP. 相似文献
37.
Kazuhide Tani Aika Iseki Tsuneaki Yamagata 《Angewandte Chemie (International ed. in English)》1998,37(24):3381-3383
A new piece in the puzzle. Hydrido(alkoxo) complexes of late transition metals have often been postulated as intermediates or transition states in the catalytic hydrogenation of carbonyl compounds and catalytic hydrogen transfer reactions. Here the facile oxidative addition of the O−H bonds of alcohol and water to iridium(I ) complexes of peraryldiphosphanes [Eq. (a)] is reported and the resulting complexes are described. R=H, Me. 相似文献
38.
Jiang Y Abe S Ochiai T Nozaki T Hirohata A Tezuka N Inomata K 《Physical review letters》2004,92(16):167204
Recently, it has been predicted that a spin-polarized electrical current perpendicular to plane directly flowing through a magnetic element can induce magnetization switching through spin-momentum transfer. In this Letter, the first observation of current-induced magnetization switching (CIMS) in exchange-biased spin valves (ESPVs) at room temperature is reported. The ESPVs show the CIMS behavior under a sweeping dc current with a very high critical current density. It is demonstrated that a thin ruthenium (Ru) layer inserted between a free layer and a top electrode effectively reduces the critical current densities for the CIMS. An "inverse" CIMS behavior is also observed when the thickness of the free layer increases. 相似文献
39.
We describe the dopant dependence of Raman gain in germanium- and fluorine-doped optical fibers. We clarify, both theoretically and experimentally, the effective Raman gain characteristic in an optical fiber, which is closely related to the fiber's refractive-index profile and electromagnetic field profile. We also show that this experimentally determined relationship can be used to evaluate the effective Raman gain characteristic in a germaninum- or a fluorine-doped optical fiber with an arbitrary index profile. 相似文献
40.