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71.
Keiichi Hirano Yoshiki Yamashita Yumiko Takahashi Hiroshi Sugiyama 《Journal of synchrotron radiation》2015,22(4):956-960
A novel X‐ray Bragg optics is proposed for variable‐magnification of an X‐ray beam. This X‐ray Bragg optics is composed of two magnifiers in a crossed arrangement, and the magnification factor, M, is controlled through the azimuth angle of each magnifier. The basic properties of the X‐ray optics such as the magnification factor, image transformation matrix and intrinsic acceptance angle are described based on the dynamical theory of X‐ray diffraction. The feasibility of the variable‐magnification X‐ray Bragg optics was verified at the vertical‐wiggler beamline BL‐14B of the Photon Factory. For X‐ray Bragg magnifiers, Si(220) crystals with an asymmetric angle of 14° were used. The magnification factor was calculated to be tunable between 0.1 and 10.0 at a wavelength of 0.112 nm. At various magnification factors (M≥ 1.0), X‐ray images of a nylon mesh were observed with an air‐cooled X‐ray CCD camera. Image deformation caused by the optics could be corrected by using a 2 × 2 transformation matrix and bilinear interpolation method. Not only absorption‐contrast but also edge‐contrast due to Fresnel diffraction was observed in the magnified images. 相似文献
72.
Akchurin N Langland J Onel Y Bonner BE Corcoran MD Cranshaw J Nessi-Tedaldi F Nessi M Nguyen C Roberts JB Skeens J White JL Bravar A Giacomich R Penzo A Schiavon P Zanetti A Bystricky J Lehar F de Lesquen A van Rossum L Cossairt JD Read AL Derevschikov AA Matulenko YA Meschanin AP Nurushev SB Patalakha DI Rykov VL Solovyanov VL Vasiliev AN Grosnick DP Hill DA Laghai M Lopiano D Ohashi Y Shima T Spinka H Stanek RW Underwood DG Yokosawa A Funahashi H Goto Y Imai K Itow Y Makino S Masaike A 《Physical review D: Particles and fields》1993,48(7):3026-3036
73.
74.
Prof. James S. M. Anderson Prof. Juan I. Rodríguez Prof. Paul W. Ayers Daniel E. Trujillo-González Dr. Andreas W. Götz Prof. Jochen Autschbach Prof. Fray L. Castillo-Alvarado Prof. Koichi Yamashita 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2538-2544
The topology of the molecular electron density of benzene dithiol gold cluster complex Au4−S−C6H4−S′−Au′4 changed when relativistic corrections were made and the structure was close to a minimum of the Born–Oppenheimer energy surface. Specifically, new bond paths between hydrogen atoms on the benzene ring and gold atoms appeared, indicating that there is a favorable interaction between these atoms at the relativistic level. This is consistent with the observation that gold becomes a better electron acceptor when relativistic corrections are applied. In addition to relativistic effects, here, we establish the sensitivity of molecular topology to basis sets and convergence thresholds for geometry optimization. 相似文献
75.
Dr. Yoji Horii Dr. Keiichi Katoh Dr. Kunihisa Sugimoto Dr. Ryo Nakanishi Dr. Brian K. Breedlove Prof. Dr. Masahiro Yamashita 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3098-3104
In the research field of single-molecule magnets (SMMs), lanthanoid–lanthanoid interactions, so-called f–f interactions, are known to affect the SMM properties, although their magnitudes are small. In this article, an SMM with very weak f–f interactions is reported, and the effects of the interactions on the SMM properties are discussed. X-ray structural analysis of the DyIII-CdII-phthalocyaninato sextuple-decker complex (Dy2Cd3) reveals that the intramolecular Dy−Dy length in Dy2Cd3 is more than 13 Å, which is longer than the intermolecular Dy−Dy length. Even though the two DyIII ions are far apart, intermolecular ferromagnetic dipole–dipole interactions are observed in Dy2Cd3. From detailed analysis of ac magnetic susceptibilities, quantum tunneling of the magnetization (QTM) in Dy2Cd3 is partially suppressed owing to the existence of very weak Dy−Dy interactions. Our results show that even very weak Dy−Dy interactions act as a dipolar bias, suppressing QTM. 相似文献
76.
Mitsuki Yamashita Yuna Kawasumi Yuki Tachibana Dr. Shinnosuke Horiuchi Dr. Koji Yamamoto Prof. Tetsuro Murahashi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(5):1212-1216
Although small cyclic- and open-chain unsaturated hydrocarbon anions such as cyclopentadienide and open-chain pentadienide are used as the strongly electron-donating auxiliary ligands for metal complexes, more extended π-conjugated unsaturated hydrocarbon anions have rarely been used in coordination chemistry, despite their potential ability to serve as the multiply bridging π-ligands for metal clusters. This work reports isolation of metal chain clusters bearing the multi-dentate, open-chain extended unsaturated hydrocarbon anion ligands. The extended open-chain π-conjugated polyenyl ligands could effectively stabilize oxidized palladium chains, including an unprecedented [Pd4]4+ chain. 相似文献
77.
Hideaki Murasugi Dr. Shohei Kumagai Dr. Hiroaki Iguchi Prof. Dr. Masahiro Yamashita Dr. Shinya Takaishi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(42):9885-9891
Crystal structures of a series of organic–inorganic hybrid gold iodide perovskites, formulated as A2[AuII2][AuIIII4] [A=methylammonium (MA) ( 1 ) and formamidinium (FA) ( 2 )], A′2[I3]1−x[AuII2]x[AuIIII4] [A′=imidazolium (IMD) ( 3 ), guanidinium (GUA) ( 4 ), dimethylammonium (DMA) ( 5 ), pyridinium (PY) ( 6 ), and piperizinium (PIP) ( 7 )], systematically changed depending on the cation size. In addition, triiodide (I3−) ions were partly incorporated into the AuI2− sites of 3 – 7 , whereas they were not incorporated into those of 1 and 2 . Such a difference comes from the size of the organic cation. Optical absorption spectra showed characteristic intervalence charge-transfer bands from AuI to AuIII species, and the optical band gap increased as the size of the cation became larger. 相似文献
78.
Chikashi Shinagawa Yusuke Morikawa Shin-ichi Nishimura Hiroshi Ushiyama Atsuo Yamada Koichi Yamashita 《Journal of computational chemistry》2019,40(1):237-246
Na2FePO4F is a promising cathode material for a Na-ion battery because of its high electronic capacity and good cycle performance. In this work, first principle calculations combined with cluster expansion and the Monte Carlo method have been applied to analyze the charge and discharge processes of Na2FePO4F by examining the voltage curve and the phase diagram. As a result of the density functional theory calculation and experimental verification with structural analysis, we found that the most stable structure of Na1.5FePO4F has the P21/b11 space group, which has not been reported to date. The estimated voltage curve has two clear plateaus caused by the two-phase structure composed of P21/b11 Na1.5FePO4F and Pbcn Na2FePO4F or Na1FePO4F and separated along the c-axis direction. The phase diagram shows the stability of the phase-separated structure. Considering that Na2FePO4F has diffusion paths in the a- and c-axis directions, Na2FePO4F has both innerphase and interphase diffusion paths. We suggest that the stable two-phase structure and the diffusion paths to both the innerphase and interphases are a key for the very clear plateau. We challenge to simulate a nonequilibrium state at high rate discharge with high temperature by introducing a coordinate-dependent chemical potential. The simulation shows agreement with the experimental discharge curve on the disappearance of the two plateaus. © 2018 Wiley Periodicals, Inc. 相似文献
79.
Atsushi Sudo Tomoki Yamasaki Takuro Yamashita Dai Ishida 《Journal of polymer science. Part A, Polymer chemistry》2019,57(24):2407-2414
Oligo(spiroketal)s (OSKs) were synthesized from myo‐inositol, a naturally occurring cyclic compound bearing six hydroxyl groups. The successful synthesis of OSKs was achieved using silyl ethers 2 derived from 1,4‐di‐O‐alkylated myo‐inositol 1 as monomers, which underwent polycondensation with 1,4‐cyclohexanedione (CHD) at 0 °C in the presence of trimethylsilyl triflate as a catalyst. Because of the irreversible nature of the condensation reaction of silyl ethers with ketones, the resulting OSKs 7 had higher molecular weights than previously reported OSKs that were obtained by polycondensation of tetraols 1 with CHD, where backward hydrolysis of the ketal functions occurred. In addition, another series of OSKs, 8, were synthesized using silyl ethers 3 derived from 2,5‐di‐O‐alkylated myo‐inositol 6 , which are more symmetric monomers than silyl ethers 2 . Silyl ethers 3 underwent efficient polycondensation with CHD, whereas tetraol 6 did not, demonstrating that the derivation of such tetraols into the corresponding silyl ethers is a powerful strategy to access OSKs. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019 , 57, 2407–2414 相似文献
80.
In applying Pressure-Sensitive Paint (PSP) to low-speed flow wind tunnel testing, it is important to minimize any measurement
uncertainties. There are various error sources such as camera noise, misalignment of images due to model displacement and
temperature distribution over the model. Among these factors, the effects of temperature distribution change during tests
on pressure measurement accuracies were studied in the present paper. Pressure and temperature distributions over a simplified
car model (1/10 scale Ahmed model) were measured using PSP and Temperature-Sensitive Paint (TSP). Sequential images were acquired
at the same intervals over the entire test period, including for the conditions before and after the tunnel run. As a result,
it was found that the measurement error caused by temperature distribution over the model could be reduced using a single-point
temperature measurement. In addition, by measuring surface temperature distributions on the model using TSP, it was proved
that the most accurate pressure measurement could be made by rationing the wind-off image acquired immediately after shutting
down the tunnel to the wind-on image acquired immediately before shutting down the tunnel. Using the present measurement technique,
complicated pressure fields over the Ahmed model were successfully visualized. 相似文献