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101.
The equilibrium constants [K=anti/syn] of a pair of atropisomers due to restricted rotation about Csp3-Csp2 bond for [2-(2-hydroxynaphthalen-1-yl)-3,3-dimethylindolin-1-yl](4-substituted phenyl)methanone were determined in some solvents. The presence of the effective π-π interaction was demonstrated by the correlation between the equilibrium constants (K) and the substituent effect of the phenyl groups (σp), suggesting that the ‘neutral-type’ interaction is operative. 相似文献
102.
Shuichi Nakamura Masashi Hayashi Yasutoshi Kamada Ryosuke Sasaki Yuichi Hiramatsu Norio Shibata Takeshi Toru 《Tetrahedron letters》2010,51(29):3820-3823
A catalytic enantioselective desymmetrization of meso-N-(heteroarenesulfonyl)aziridines with TMSN3 using chiral Lewis acids afforded products with high enantioselectivity. As proof of the utility of this procedure, the precursor of selective κ-opioid agonist (1S,2S)-(−)-U-50,488 was synthesized. 相似文献
103.
Masashi Miyakawa Hidenori Hiramatsu Masahiro Hirano 《Journal of solid state chemistry》2010,183(2):385-391
Epitaxial growth and electron doping of 12CaO·7Al2O3 (C12A7) and 12SrO·7Al2O3 (S12A7) are reported. The C12A7 films were prepared on Y3Al5O12 (YAG) single-crystal substrates by pulsed laser deposition at room temperature and subsequent thermal crystallization. X-ray diffraction patterns revealed the films were grown epitaxially with the orientation relationship of (001)[100] C12A7 || (001)[100] YAG. For S12A7, pseudo-homoepitaxial growth was attained on the C12A7 epitaxial layer. Upon electron doping, metallic conduction was achieved in the C12A7 film and the S12A7/C12A7 double-layered films. Analyses of optical absorption spectra for the S12A7/C12A7 films provided the densities of free electrons in each layer separately. Hall measurements exhibited larger electron mobility in the S12A7/C12A7 film than those in C12A7 and S12A7 films, suggesting free electrons may be accumulated at the S12A7/C12A7 interface due presumably to a discontinuity of the cage conduction bands. 相似文献
104.
The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated. 相似文献
105.
A fabrication of all-solid-state thin-film rechargeable lithium ion batteries by sol-gel method is expected to achieve both the simplification and cost reduction for fabrication process. TiO2 thin film electrode was prepared by PVP (polyvinylpyrrolidone) sol-gel method combined with spin-coating on Li1 + xAlxGe2 − x(PO4)3 (LAGP) solid electrolyte which has wide electrochemical window. The thin film was composed of anatase TiO2 that is the most active phase for Li insertion and extraction and contacted well with LAGP substrate. In the cyclic voltammogram, a redox couple was observed at 1.8 V vs. Li/Li+ assigned to Li insertion/extraction into/from anatase TiO2, indicating that the thin film worked as electrode for lithium battery. The charge and discharge test in various charge and discharge rates revealed that the discharge process (delithiation) is thought to be faster than charge process (lithiation). It is attested that the sol-gel process, which derives both simplification and cost reduction for fabrication process, can be applied to thin film battery using LAGP solid electrolyte. 相似文献
106.
Toshinori Taishi Hideaki Ise Yu Murao Takayuki Osawa Masashi Suezawa Yuki Tokumoto Yutaka Ohno Keigo Hoshikawa Ichiro Yonenaga 《Journal of Crystal Growth》2010,312(19):2783-2787
Oxygen-containing germanium (Ge) single crystals with low density of grown-in dislocations were grown by the Czochralski (CZ) technique from a Ge melt, both with and without a covering by boron oxide (B2O3) liquid. Interstitially dissolved oxygen concentrations in the crystals were determined by the absorption peak at 855 cm−1 in the infrared absorption spectra at room temperature. It was found that oxygen concentration in a Ge crystal grown from melt partially or fully covered with B2O3 liquid was about 1016 cm−3 and was almost the same as that in a Ge crystal grown without B2O3. Oxygen concentration in a Ge crystal was enhanced to be greater than 1017 cm−3 by growing a crystal from a melt fully covered with B2O3; with the addition of germanium oxide powder, the maximum oxygen concentration achieved was 5.5×1017 cm−3. The effective segregation coefficients of oxygen in the present Ge crystal growth were roughly estimated to be between 1.0 and 1.4. 相似文献
107.
Masashi Shiotsuki Atsushi Nakagawa Jesus Rodriguez Castañon Naoya Onishi Tatsurou Kobayashi Fumio Sanda Toshio Masuda 《Journal of polymer science. Part A, Polymer chemistry》2010,48(23):5549-5556
End‐functionalized poly(phenylacetylene)s were synthesized by the polymerization of phenylacetylene (PA) using the well‐defined palladium catalysts represented as [(dppf)PdBr(R)] {dppf = 1,1′‐bis(diphenylphosphino)ferrocene}. The Pd catalysts having a series of R groups such as o‐tolyl, mesityl, C(Ph)?CPh2, C6H4‐o‐CH2OH, C6H4‐p‐CN, and C6H4‐p‐NO2 in conjunction with silver triflate polymerized PA to give end‐functionalized poly(PA)s bearing the corresponding R groups in high yields. The results of IR and NMR spectroscopies and MALDI‐TOF mass analyses proved the introduction of these R groups at one end of each polymer chain. The poly(PA) bearing a hydroxy end group was applied as a macroinitiator to the synthesis of a block copolymer composed of poly(PA) and poly(β‐propiolactone) moieties. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010 相似文献
108.
Irfan Saeed Fareha Zafar Khan Masashi Shiotsuki Toshio Masuda 《Journal of polymer science. Part A, Polymer chemistry》2009,47(7):1853-1863
The 3‐ and 4‐aminophenylacetylenes protected by t‐butoxycarbonyl (t‐Boc) and 9‐fluorenylmethoxycarbonyl (Fmoc) groups ( 3a – 6a ) were synthesized and polymerized using [(nbd)RhCl]2 ( 1 ) and [(nbd)Rh+‐η6‐PhB?Ph3] ( 2 ) catalysts. The t‐Boc‐containing polymers [poly( 3a ) and poly( 4a )] were obtained in high yield (82–91%). Among the Fmoc‐protected monomers, the para‐derivative polymerized well [poly( 6a ); yield = 85–94%], whereas its meta‐substituted analogue did not afford high molecular weight polymer in good yield [poly( 5a ); yield = 10–15%]. The use of KN(SiMe3)2 as a cocatalyst in conjunction with 1 led to a dramatic increase in the molecular weight of the polymers. The acid‐ and base‐catalyzed removal of the t‐Boc and the Fmoc groups, respectively, generated primary amine‐containing polymers [poly( 3b )–poly( 6b )] which cannot be obtained directly by the polymerization of the corresponding monomers. The solubility characteristics of the polymers bearing protected amino groups were quite different from those of the unprotected ones, the former being soluble in polar solvents, whereas the latter displayed poor solubility even in polar protic or highly polar aprotic solvents. The attempts to accomplish the free‐standing membrane fabrication by solution casting were successful only for poly( 3a ), and an augmentation in the gas permeability and CO2/N2 permselectivity was discerned in comparison with the unsubstituted poly(phenylacetylene) and poly(m‐t‐butyldimethylsiloxyphenylacetylene). © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 1853–1863, 2009 相似文献
109.
Masashi Eto Kazunobu Harano Takuzo Hisano Takeo Kitamura 《Journal of heterocyclic chemistry》1992,29(2):311-315
The crystal and molecular structures of isomeric compounds of 1-(4′-chlorobenzoyl)-2-(2″-hydroxynaphthyl)-3,3-Dimethylindoline have been determined by single crystal X-ray analyses as a pair of diastereomeric atropisomers due to restricted rotation about a Csp3-Csp2 bond. 相似文献
110.
A real-time detection of a moving object was demonstrated by taking the subtraction between cross-polarized phase conjugate waves with fast and slow response times with two kinds of dye-doped phase conjugators. One consists of superposed films of an erythrosin-B-doped film and a methyl-orange-doped film, and the other is a film dispersed with both dyes. The relative phase between cross-polarized phase conjugate waves by the both dye-dispersed films was stable. 相似文献