Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Komatsu, Yuya*; Shimizu, Ryota*; Wilde, M.*; Kobayashi, Shigeru*; Sasahara, Yuki*; Nishio, Kazunori*; Shigematsu, Kei*; Otomo, Akira*; Fukutani, Katsuyuki; Hitosugi, Taro*
Crystal Growth & Design, 20(9), p.5903 - 5907, 2020/09
Times Cited Count：5 Percentile：46.4(Chemistry, Multidisciplinary)Chanyshev, A. D.*; Litasov, K. D.*; Rashchenko, S.*; Sano, Asami; Kagi, Hiroyuki*; Hattori, Takanori; Shatskiy, A. F.*; Dymshits, A. M.*; Sharygin, I. S.*; Higo, Yuji*
Crystal Growth & Design, 18(5), p.3016 - 3026, 2018/05
Times Cited Count：19 Percentile：84.86(Chemistry, Multidisciplinary)The high-temperature structural properties of solid benzene were studied at 1.5-8.2 GPa up to melting or decomposition using multi-anvil apparatus and in situ neutron and X-ray diffraction. The crystal structure of deuterated benzene phase II (P2
/c unit cell) was refined at 3.6-8.2 GPa and 473-873 K. Our data show a minor temperature effect on the change in the unit cell parameters of deuterated benzene at 7.8-8.2 GPa. At 3.6-4.0 GPa, we observed the deviation of deuterium atoms from the benzene ring plane and minor zigzag deformation of the benzene ring, enhancing with the temperature increase caused by the displacement of benzene molecules and decrease of van der Waals bond length between the 
-conjuncted carbon skeleton and the deuterium atom of adjacent molecule. Deformation of benzene molecule at 723-773 K and 3.9-4.0 GPa could be related to the benzene oligomerization at the same conditions. In the pressure range of 1.5-8.2 GPa, benzene decomposition was defined between 773-923 K. Melting was identified at 2.2 GPa and 573 K. Quenched products analyzed by Raman spectroscopy consist of carbonaceous material. The defined benzene phase diagram appears to be consistent with those of naphthalene, pyrene, and coronene at 1.5-8 GPa.
Masuda, Toshiyuki*; Arase, Junko*; Inagaki, Yusuke*; Kawahara, Masatoshi*; Yamaguchi, Kentaro*; Ohara, Takashi; Nakao, Akiko*; Momma, Hiroyuki*; Kwon, E.*; Setaka, Wataru*
Crystal Growth & Design, 16(8), p.4392 - 4401, 2016/08
Times Cited Count：27 Percentile：87.56(Chemistry, Multidisciplinary)Takahashi, Masamitsu; Kozu, Miwa*; Sasaki, Takuo; Hu, W.*
Crystal Growth & Design, 15(10), p.4979 - 4985, 2015/10
Times Cited Count：14 Percentile：69.21(Chemistry, Multidisciplinary)Komoto, Shigeo*; Chuko, Tomotaka*; Hisamatsu, Shugo; Okuda, Yasuhiro*; Masu, Hyuma*; Takahashi, Masahiro*; Kishikawa, Keiki*
Crystal Growth & Design, 15(6), p.2723 - 2731, 2015/05
Times Cited Count：16 Percentile：75.03(Chemistry, Multidisciplinary)Piezoluminescence and liquid crystallinity of anthracene-based bispyridinium salts were investigated in stimulus responsive luminescent organic crystals and luminescent ionic liquid crystals. The salts possess an anthracene moiety as a fluorophore in their center, and the pyridiniums attached to the anthracene moiety are substituted with trialkoxybenzyl groups. Single crystals of the salts bearing two trimethoxybenzyl groups were obtained as solvates. Ethyl acetate, acetone, and dioxane solvates of the chlorides have almost the same crystal structures with one-dimensional channels. Grinding of the solvated crystals caused the extrusion of the included solvent molecules, which resulted in the red shifts of their fluorescence in the solid state. Tris(octyloxy)benzyl and tris(dodecyloxy)benzyl derivatives exhibited rectangular columnar liquid crystals upon being heated for their bromide and tetrafluoroborate salts and upon being cooled for their hexafluorophosphate salts.
Hisamatsu, Shugo; Masu, Hyuma*; Takahashi, Masahiro*; Kishikawa, Keiki*; Komoto, Shigeo*
Crystal Growth & Design, 15(5), p.2291 - 2302, 2015/04
Times Cited Count：77 Percentile：98.08(Chemistry, Multidisciplinary)Anthracene derivatives possessing a carbamate group and an ester group at their 9- and 10-positions, respectively, were prepared to furnish pairwise packing of anthracene fluorophores in their crystal structures. They were nonluminescent in ethanol solution and showed AIE (aggregation-induced emission) in aqueous ethanol solution and in solid state. Crystal structure analysis of them showed that the H-bonding networks involved in their crystal structures could be classified into four patterns, H-bonding between the carbamate and the ester carbonyl (motifA), H-bonding between the carbamate and the ester oxygen atom (motif B), H-bonded cyclic dimer of carbamate moieties (motif C), and H-bonded chain among carbamate moieties (motif D). Compounds with pairwisely packed anthracene fluorophores showed dimer emission with the longer fluorescence wavelength than others without the pair formation.
-bis(thiocyanato)aurate(I) complexes in ionic liquidsAoyagi, Noboru; Shinha, Yusuke*; Ikeda, Atsushi*; Haga, Yoshinori; Shimojo, Kojiro; Brooks, N. R.*; Izuoka, Akira*; Naganawa, Hirochika; Kimura, Takaumi; Binnemans, K.*
Crystal Growth & Design, 15(3), p.1422 - 1429, 2015/03
Times Cited Count：11 Percentile：64.34(Chemistry, Multidisciplinary)The photochemistry of a gold(I) thiocyanate complex has been investigated to determine the coordination structure in both the solid and liquid states. The coordination geometries of the supramolecular complex and the concomitant exciplex have mainly been analyzed by crystallographic analysis and X-ray absorption spectroscopy. The Au-S bond distance and Au-Au separation of the compound in the ground state and in the phosphorescent excited state were compared. Upon irradiation with UV light, the excimeric interactions were enhanced, resulting in a contraction of the Au-Au aurophilic distance. A broad luminescence spectrum was observed for the one-dimensional chain suprastructure. The time-resolved luminescence spectra indicated the entity of several oligomeric species in the crude liquid without neutral solvent molecules. In addition, EXAFS spectroscopy exhibited a slight change in the nearest Au-S distance due to the photo-switched transformation. The deformation of the (Au-Au)* exciplexes was not apparently promoted in the liquid state with the asymmetrical imidazoium cations having a non-local charge distribution in the present observation. This is plausibly due to a flexible molecular structure and a property in the liquid state. In conclusion, the photo-excited nature of the pseudo-one dimensional complexes is emerged in controlling bond distances among the supramolecular networks.
Serizawa, Hiroyuki; Matsunaga, Junji*; Haga, Yoshinori; Nakajima, Kunihisa; Akabori, Mitsuo; Tsuru, Tomohito; Kaji, Yoshiyuki; Kashibe, Shinji*; Oishi, Yuji*; Yamanaka, Shinsuke*
Crystal Growth & Design, 13(7), p.2815 - 2823, 2013/07
Times Cited Count：5 Percentile：42.72(Chemistry, Multidisciplinary)Since the shape of the negative crystal closely relates to the morphology of the crystal habits, the formation and the growth mechanism is important subject in a field of the physical science. Whereas, the negative crystal formed in a large single crystal mass has been arousing interest as an expensive jewelry because of its mysterious appearance and rarity. However, it is difficult to control the shape of this polyhedral cavity embedded in a solid medium arbitrary. Here we report the recent discovery on the growth process of the negative crystal. We found that precipitated helium forms the negative crystal in UO
; the shape changes drastically with the condition of the helium precipitation. The transformation mechanism was discussed in this article. Our investigation implies that the shape of the negative crystal can be arbitrary controlled by controlling the precipitation condition.
resolutionShimizu, Noriko*; Sugiyama, Shigeru*; Maruyama, Mihoko*; Takahashi, Yoshinori*; Adachi, Motoyasu; Tamada, Taro; Hidaka, Koshi*; Hayashi, Yoshio*; Kimura, Toru*; Kiso, Yoshiaki*; et al.
Crystal Growth & Design, 10(7), p.2990 - 2994, 2010/06
Times Cited Count：11 Percentile：72.02(Chemistry, Multidisciplinary)We report crystal growth of human immunodeficiency virus 1 protease (HIV PR) in a complex with its inhibitor KNI-272 by six different methods. Comparative analysis indicates that top-seeded solution growth (TSSG) and TSSG combined with the floating and stirring technique (TSSG-FAST) are efficient strategies for rapidly obtaining large single crystals and effectively preventing polycrystallization of the seed crystal. Neutron diffraction analysis confirmed that the crystalobtained by TSSG is a high-quality single crystal. Furthermore, crystal shape was observed to be influenced by solution flow, suggesting that the degree of supersaturation significantly affects the crystal growth direction of HIV PR complex. This finding implies that the shape of the HIV PR complex crystal might be controlled by the solution flow rate.
and PuKim, S.-Y.; Takao, Koichiro*; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji*; Ikeda, Yasuhisa*
Crystal Growth & Design, 10(5), p.2033 - 2036, 2010/04
Times Cited Count：15 Percentile：77.61(Chemistry, Multidisciplinary)Plutonyl(VI) nitrate complexes with N-cyclohexyl-2-pyrrolidone (NCP) and N-neopentyl-2-pyrrolidone (NNpP) were prepared, and their molecular and crystal structures were determined by single crystal X-ray analysis. The obtained compounds have the similar composition, PuO(NO
)(NRP) (NRP = NCP, NNpP), which are analogous to the corresponding U(VI) complexes. Both PuO(NO)(NRP) complexes show typical structural properties of actinyl(VI) nitrates, i.e., hexagonal-bipyramidal geometry consisting of two NRP molecules and two NO
ions located in trans positions in the equatorial plane of PuO
moiety. These findings provide one of criteria in selection of suitable NRP as a precipitation agent for the spent nuclear fuel reprocessing based on the precipitation method.
Chatake, Toshiyuki*; Sazaki, Gen*; Kikko, Tatsuhiko*; Fujiwara, Satoru; Ishikawa, Takuya*; Matsumoto, Osamu*; Morimoto, Yukio*
Crystal Growth & Design, 10(3), p.1090 - 1095, 2010/03
Times Cited Count：4 Percentile：48.31(Chemistry, Multidisciplinary)We propose a technique for DNA crystallization using the thermal reversible process of DNA: a conversion between a double-stranded DNA (dsDNA) and two single-stranded DNAs (ssDNAs) with temperatures. We investigated the solubility of the crystals of a DNA hexamer d(CGCGCG) and their melting temperature, at which the thermal conversion occurs. The results obtained suggest that the conversion from a dsDNA to ssDNAs results in an increase in solubility. It was shown that using this temperature-controlled technique, high-grade single crystals of the DNA hexamer could be obtained from a small amount of DNA samples. This easy-to-apply technique would be superior to the conventional vapor diffusion technique in that it allows the solubility of DNA crystals to be controlled with no need for expensive setups.
Kimura, Fumiko*; Kimura, Tsunehisa*; Matsumoto, Kenji*; Metoki, Naoto
Crystal Growth & Design, 10(1), p.48 - 51, 2009/12
Times Cited Count：13 Percentile：75.09(Chemistry, Multidisciplinary)Single-crystal neutron diffraction analysis of an L-alanine pseudo single crystal (PSC, a composite in which microcrystals are aligned three-dimensionally) prepared from its powder is presented. Microcrystals of L-alanine were suspended in an ultraviolet-curable resin precursor and subjected to three-dimensional magnetic alignment, followed by consolidation of the resin precursor to fix the achieved alignment. A cylindrical PSC of diameter ca. 8 mm and height 10 mm was obtained and then subjected to neutron diffraction measurements. Pole figures measured at (040), (120), and (002) planes showed sharp peaks, demonstrating three-dimensional alignment of microcrystals. Scans were performed for 31 diffraction peaks whose intensities showed good agreement with calculation results. The present study showed the potential use of the PSC method in single-crystalneutron diffraction analysis when a large crystal is not available.
-alkylated 2-pyrrolidone derivatives; Design and optimization of promising precipitant for uranyl ionTakao, Koichiro*; Noda, Kyoko*; Morita, Yasuji; Nishimura, Kenji*; Ikeda, Yasuhisa*
Crystal Growth & Design, 8(7), p.2364 - 2376, 2008/07
Times Cited Count：35 Percentile：89.88(Chemistry, Multidisciplinary)Molecular and crystal structures of UO(NO)(NRP) (NRP = N-alkylated 2-pyrrolidone derivative) have been investigated by using single crystal X-ray analysis, IR and Raman spectroscopies. All UO(NO)(NRP) complexes have typical structural properties of UO(NO)(L) (L = unidentate ligand), i.e., hexagonal-bipyramidal geometry, two NRP and two NO located in trans positions in an equatorial plane of the uranyl ion. Observation of the crystals of the uranyl nitrate complexes with N-n-propyl-2-pyrrolidone and N-iso-propyl-2-pyrrolidone indicate the presence of significant voids in the crystal lattices of these compounds. From this result, an approach for construction of efficient packing of UO(NO)(NRP) was proposed. Consequently, it was found that N-iso-butyl-2-pyrrolidone completely satisfies with the requirement for the efficient packing by filling the voids with the alkyl chain.
