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1.
Hassane Assaaoudi Mostafa Ijjaali Abdelaziz Ennaciri Ian S. Butler Janusz A. Kozinski 《Journal of chemical crystallography》2007,37(9):601-608
Abstract The cyclotriphosphate salt, ErNa3(P3O9)2 · 9H2O, has been characterized by single-crystal X-ray diffraction [hexagonal, space group , with unit cell parameters of a = b = 30.8451(14), c = 12.8063(8) ?; Z = 18]. The structure consists of alternating layers of [P3O9]3− groups, ErO8 dodecahedra, Na(1)O6 and Na(2)O7 polyhedra linked together by water molecules. The P3O9 rings are grouped along the c-axis in a P3O9–ErO8 arrangement thereby producing broad, hexagonal channels of diameter of 6.65 ? with a side dimension of 3.907 ?. The absence
of coincidences for the majority of the IR and Raman bands observed for the cyclotriphosphate salt is in accord with the centrosymmetric
structure of the material. The vibrational spectra have been interpreted on the basis of factor group effects.
Graphical abstract
We report the crystal structure and vibrational spectra of erbium trisodium bis(cyclotriphosphate)nanohydrate salt
ErNa
3
(P
3
O
9
)
2
·
9H
2
O
H. Assaaoudi, M. Ijjaali, A. Ennaciri, I. S. Butler* and J. A. Kozinski
Crystal structure and vibrational spectra of erbium trisodium bis(cyclotriphosphate) nonahydrate,ErNa3(P3O9)2 · 9H2O.
Projection of the coordination polyhedra of ErNa3(P3O9)2 · 9H2O down the c axis 相似文献
2.
4,7,13-T4ioxa-1,10-diaza-5,6-benzocyclopentadecane, C14H22N2O3·H2O (7) was synthesized by reduction of macrocyclic diamides (3) or (6). The compound crystallized in the orthorhombic space group Pbca witha=9.361(3),b=9.175(3),c=37.152(11) Å. The structure was solved by direct methods and refined to anR value of 0.048 and wR of 0.038 for 1875 reflections. The molecule itself is internally hydrogen bonded by N–H...O connections. In the crystal structures water molecules form hydrogen bonds with amine nitrogen atoms of adjacent molecules. 相似文献
3.
William R. Gemmill Mark D. Smith Hans-Conrad zur Loye 《Journal of chemical crystallography》2007,37(12):793-795
Abstract Single crystals of the lanthanum-containing ruthenate, trilanthanum ruthenium septaoxide, La3RuO7, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The compound
crystallizes in the orthorhombic space group Cmcm with a = 11.2077(6) ?, b = 7.4531(4) ?, and c = 7.6042(4) ? and is a member of a well-known family of compounds with the general formula Ln3MO7.
Graphical abstract
Synthesis and crystal structure of the fluorite-related ruthenate, trilanthanum ruthenium septaoxide La
3
RuO
7
William R. Gemmill, Mark D. Smith and Hans-Conrad zur Loye*
Single crystals of La3RuO7 were isolated from a high-temperature KCl flux and characterized by single crystal X-ray diffraction. A view of the crystal
structure approximately along [001] of La3RuO7 and displacement ellipsoids drawn at 50% probability level. The vertex-sharing RuO6 octahedra are shown in blue, La3+ are shown in yellow, and O2− are shown in red.
相似文献
4.
Hiroshi Negishi Saiko Negishi Minoru Sasaki Masasi Inoue Shigeo Ohara 《Molecular Crystals and Liquid Crystals》2013,570(2):63-68
Abstract EXAFS and XANES spectra of Ti K-edge have been measured for 3d transition metal intercalation compounds M x TiS2 (M = Mn, Fe, Co and Ni; x ≤ 0.33). We have found that the interatomic distance between Ti and the first nearest neighbor S atoms, R(Ti-S), increases with the guest concentration x. The variation in XANES spectra with x reveals the reduction of the valence state of Ti atoms upon intercalation of M. From these results as well as the M K-edge EXAFS data studied previously, we have proposed a simple model on the local structure of M x TiS2 to reproduce the observed values of R(Ti-S) by averaging local shift of S atoms caused by intercalation. 相似文献
5.
Abstract Electrochemical lithium intercalation into Li1-δMn2O4 electrode prepared by sol-gel method was investigated from the thermodynamic view point by using galvanostatic intermittent titration technique (GITT) combined with EMF-temperature measurement. The electrode potential vs. lithium content curve was theoretically calculated with the aid of the lattice gas model based upon the Bragg-Williams approximation for the cubic spinel composed of two sub-lattices. Considering the considerable difference between both lithium contents in two sub-lattices due to the ordering of the intercalated lithium ions, the theoretical partial molar enthalpy and entropy were calculated at various lithium contents by a numerical method. From the comparison between the theoretical partial molar quantities and experimental results, the electrochemical lithium intercalation into the Li1-δMn2O4 electrode was discussed in terms of the ordering of the intercalated lithium ions. 相似文献
6.
J. Molenda I. Nowak L. Jedynak J. Marzec A. Stokłosa 《Molecular Crystals and Liquid Crystals》2013,570(2):199-204
Abstract Electrical conductivity and thermoelectric power measurements (77–300K) of both the pure and electrochemically doped with lithium Bi2Sr2CaCu2O8 system, are presented. Clear correlation between transport and electrochemical properties of LixBi2Sr2CaCu2O8 was shown. 相似文献
7.
Y. Iwasa X. H. Chen T. Takenobu T. Mitani 《Molecular Crystals and Liquid Crystals》2013,570(1):583-586
Abstract Raman spectra have been measured on BaxC60 binary systems for x=3, 4 and 6. The pentagonal pinch Ag(2) mode exhibits a softening in an approximately proportional manner to the formal valence of C60 molecule. This result suggests that the valence of C60 in Ba doped systems are understood by the naive ionic crystal model based on Ba2+. The broader Raman peaks in superconducting Ba4C60 indicates that the electron-phonon interaction is considerably large comparing to those for Ba3C60 and Ba6C60. 相似文献
8.
Masaru Yanagisawa Satoshi Uchida Yoshinobu Fujishiro Tsugio Sato 《Molecular Crystals and Liquid Crystals》2013,570(2):231-236
Abstract TiO2 intercalated H4Nb6O17 has been synthesized by the reactions of H4Nb6O17 with a titanyl acylate complex followed by UV irradiation. The gallery height, specific surface area and Ti content of the sample synthesized by using titanyl acylate complex were larger than that using TiO2 sol solution. Furthermore, the photocatalytic activity of the TiO2 pillared H4Nb6O17 prepared using a titanyl acylate precursor was twice larger than that fabricated using a TiO2 sol solution. 相似文献
9.
B. Pniewska T. Stankiewicz P. Sałański J. Jurczak 《Journal of chemical crystallography》1995,25(2):69-73
4,7,13,16-tetraoxa-1,10-diaza-5,6-benzocyclooctadeca-11,18-dione, C16H22N2O6·H2O, (3) was synthesized under thermal conditions, starting from ,-diamine (1) and ,-diester (2). The hydrate of compound (3) was investigated in the solid state by X-ray structural analysis. Crystal data: monoclinic system, space group P21/c,a=12.342(4) Å,b=15.978(7) Å,c=8.960(3) Å, =96.72(3)°,Z=4. The structure was solved by direct methods and refined to finalR=0.056,R
w=0.069 for 1962 observed reflections. The structure exhibits internal hydrogen bonds between the etheral O(16) atom and the neighboring amide group. The water molecule connects diamide molecules by one strong hydrogen bond with carbonyl oxygen, and four weak hydrogen bonds with the amide groups and etheral oxygen atoms. 相似文献
10.
Abstract The intensity ratio of the T′/T87Rb NMR lines in Rb3C60 could be changed by different cooling rates after annealing at 380 °C. The results are discussed with respect to magnetically different surroundings of the Rb ions through the two standard orientations of the C60 3-ions. Additionally, the superconducting volume fraction is influenced by the different cooling procedures. 相似文献
11.
Shugo Suzuki Shinìchi Higai Nobutada Nagai Kenji Nakao 《Molecular Crystals and Liquid Crystals》2013,570(1):587-592
Abstract We have studied theoretically the electronic structures of a hypothetical donor-type material, (PH4)3C60, and a hypothetical acceptor-type material, (ClO4)3C60 from first principles by using a full-potential linear-combination-of-atomic-orbitals method based on the density-functional theory within the local-density approximation. It is found that the charge transfer from the PH4 molecules to the C60 molecules is perfect while the charge transfer from the ClO4 molecules to the C60 molecules is not perfect. We compare the latter result with the electronic structures of two typical acceptor-type organic conductors, (TMTSF)2ClO4 and (TMTSF)2PF6, and discuss the differences. 相似文献
12.
S.S.P. Parkin F. Creuzet M. Ribault D. Jérome K. Bechgaard J. M. Fabre 《Molecular Crystals and Liquid Crystals》2013,570(1):605-615
Abstract We report pressure dependent studies of the a-axis resistivity as a function of temperature for several members of the isostructural families of organic charge transfer salts, (TMTSF)2X and (TMTTF) 2X. For a typical (TMTSF)2X material the low temperature metal-insulator transition seen at 1 bar is suppressed above some critical pressure, Pc, where a superconducting transition is observed near 1 K. We find a correlation between Pc and the ambient pressure c lattice parameter which reflects the anion size. The (TMTTF) cX salts exhibit very different ambient pressure behaviour but we find that with the application of sufficiently high pressures (~30 kbar) their behaviour resembles that seen in the (TMTSF)2X family but at lower pressures. In particular we find evidence of a possible superconducting transition near 4 K in (TMTTF)2Br at 25 kbar. At this pressure the conductivity near 4 K is extremely high with a value approaching 106 (Ωcm)?1 and the resistivity ratio is about 400. 相似文献
13.
Mikio Shimode Makoto Sasaki Ken-Ichi Mukaida 《Molecular Crystals and Liquid Crystals》2013,570(2):183-188
Abstract LiFeO2, with a layered rocksalt structure of α-NaFeO2-type was prepared by ion exchange reaction from Na+ ion to Li+ ion using α-NaFeO2. α-NaFeO2-type LiFeO2 was synthesized by using the mixture of LiI and KI in the temperature range 220 to 480 °C. The heat treatment temperature of 600 °C gave α-LiFeO2-type LiFeO2 as a main product. As a result of Rietveld analysis, the structure of LiFeO2 which assigned to α-NaFeO2-type by an XRD measurement, was the mixture of α-NaFeO2-type and Li-intercalated spinel-type structures. 相似文献
14.
Nandang Mufti Siti Maryam Atika Sari Puspita Dewi Ahmad Taufiq Robi Kurniawan Sunaryono 《Molecular Crystals and Liquid Crystals》2019,694(1):49-59
AbstractThe aim of this research is to investigate the photodegradation of Methylene Blue with Fe3O4/ZnO core-shells. Fe3O4/ZnO core-shells were synthesized by a simple two-step chemical method (co-precipitation and precipitation) using a molar variation of Zn-acetate precursor. We found that the presence of Fe2O3 plays an important role in enhancement of photocatalytic activity due to the existence of higher concentration of surface oxygen vacancies and the suppressing effect of the Fe2+ ions on the recombination of photoinduced electron-hole pairs. The core-shell photocatalyst can be easily separated by using a commercial magnet without reduces photocatalytic efficiency within three times of recycling process. 相似文献
15.
Shu-Long Wang Wen-Fang Huang Qing-Min Wei Zhi-Lin Chen 《Molecular Crystals and Liquid Crystals》2018,667(1):78-87
AbstractNovel film polymeric composites based on the non-photoconducting polyvinyl butyral with heterometallic complexes (NH4)4n{[Cu(en)(H2O)][P2Mo5O23]}n·3.5nH2O (1) and (NH4)2n{[Cu(en)2][Cu(en)(H2O)][P2Mo5O23]}n·3nH2O (2) [en?=?ethylenediamine] have been prepared. Both compounds are similar and contain Strandberg anions [P2Mo5O23]6– linked to Cu-diamine species. The main structural difference between complexes is the presence of additional bridging [Cu(en)2] fragments in 2, which provide an extra connectivity between the neighboring polyoxometalates. However, the different saturations and relaxation times of the photoresponse, as well as different activation energies, are shown. The variability of the photoconducting properties can be explained by the influence of a chain rigidity on the transport of non-equilibrium charge carriers. 相似文献
16.
ABSTRACTThe slow rate of the oxygen reduction reaction (ORR) and the instability of Pt based catalysts are two of the most important issues which must be solved in order to make proton exchange membrane fuel cells (PEMFCs) a reality. Here, we present a new approach by exploring robust non-carbon Ti0.7In0.3O2 used as a novel functionalised co-catalytic support for Pt. This approach is based on the novel nanostructure Ti0.7In0.3O2 support with “electronic transfer mechanism” from Ti0.7In0.3O2 to Pt that can modify surface electronic structure of Pt, owing to a shift in the d-band centre of the surface Pt atoms. The 20 wt% Pt/Ti0.7In0.3O2 catalyst shows high activity than that of that of the commercial 20 wt% Pt/C (E-TEK). Our data suggest this enhancement is a result of both the electronic structure change of Pt upon its synergistic interaction with Ti0.7In0.3O2 and the inherent structural and chemical stability and the corrosion-resistance of the Ti0.7In0.3O2 in acidic and oxidative environments. 相似文献
17.
Tomoko Kusawake Yasuhiko Takahashi Ken-Ichi Ohshima 《Molecular Crystals and Liquid Crystals》2013,570(2):93-98
Abstract A structural analysis of single crystals of the layered compounds Cu x TiS2 (x=0. 0.21 and 0.38), which were prepared by the iodine transport and the electrochemical methods, has been performed by X-ray diffraction. The displacement parameters of Ti and S atoms along the c axis are larger than those along the a axis. It is understood that the intra-layer bonding between Ti-Ti and S-S atoms is stronger than the inter-layer bonding between Ti-and S-layers. Both distances between Ti-and S-layers and between Cu-and S-layers are enlarged without changing the structure of the mother phase after intercalating Cu atoms. 相似文献
18.
M. W. Wieczorek G. D. Bujacz R. Bodalski Louis D. Quin 《Journal of chemical crystallography》1994,24(7):431-435
The structure of the title compound1 has been determined by X-ray crystallography analysis. The following crystal data were found: orthorhombic,Pca2l,a=9.60691),b=16.356(1),c=8.686(1) . Both the phospholane and phospholene rings involved in the 7-phosphabicyclo-[2.2.1] hept-2-ene system have almost regular envelope conformations, and the cyclohexene ring has a significantly deformed boat conformation. The low value of the C–P–C angle, 84.2(2)°, reflects the steric strain around the phosphorus bridge and may be responsible for the reactivity of esters and amides derived from1 in the O-insertion reaction with m-chloro-perbenzoic acid. The dihedral angle between the plane of the benzene and succinimide rings is 82.4(2)°. 相似文献
19.
ABSTRACTTiO2, ZnO and ZnO/TiO2 thin films have been prepared by radio frequency magnetron sputtering method under different temperatures. Their photo catalytic activities have been investigated. The structural of the thin films were characterized by X-ray diffraction and Raman spectroscopy. The photo catalytic activities of TiO2 and ZnO/TiO2 samples were evaluated by the photo decomposition of methylene blue. We note that the structural proprieties of the thin films showed a perfect crystallization along the (002) for ZnO, Rutile (110) for TiO2 and Anatase (101) for TiO2. The experimental results show that the bilayer ZnO/TiO2 were the most efficient photo catalysts compared to the layer of TiO2. This increased catalytic effect can attributed to the interface between the ZnO layer and the TiO2 one, which modify significantly the chemical potential of the bilayer. 相似文献
20.
The structural determination by X-ray crystallography of the titled N-arylamine 4a, as well as AM1 calculations on a series of derivatives (4b–c, 5a–c), are reported. The compound 4a is monoclinic P21/c with a = 7.656(3), b = 23.655(5), c = 7.686(9) Å, = 112.59(6)°, V = 1285.2(2) Å3 and Z = 4. This structure has been used as a template for the building of some others derivatives used for AM1 calculations. The results show that the cyclization position on the aromatic rings, which can lead to two regioisomers, depends on the nature of the benzylic substituants. 相似文献