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1.
A. A. Lomov A. G. Sutyrin D. Yu. Prokhorov G. B. Galiev Yu. V. Khabarov M. A. Chuev R. M. Imamov 《Crystallography Reports》2005,50(5):739-750
The structural properties of multiplayer AlxGa1−x
As/GaAs/AlxGa1−x
As systems (x ≈ 0.2) grown on GaAs(001) substrates are studied by the methods of double-crystal X-ray diffractometry and reflectometry.
The depth profiles of deformation, amorphization, and density of the layers are obtained. It is shown that despite small differences
(5–7%) in the densities of the AlxGa1−x
As layers and the substrate and the small thickness of the AlAs layer (1–2 nm) separating the GaAs quantum well, it is possible
to reconstruct the heterostructure model by the method of X-ray reflectometry and to determine the thickness of the transitional
layers at a resolution of 0.1–0.2 nm. It is also established that the reflectometry data obtained complement the X-ray diffraction
data considerably and allow one to estimate the roughness and the character of the aluminum distribution at the interfaces.
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Translated from Kristallografiya, Vol. 50, No. 5, 2005, pp. 801–812.
Original Russian Text Copyright ? 2005 by Lomov, Sutyrin, Prokhorov, Galiev, Khabarov, Chuev, Imamov. 相似文献
2.
A. Smekhova M. A. Andreeva E. E. Odintsova C. Dufour K. Dumesnil F. Wilhelm A. Rogalev 《Crystallography Reports》2010,55(5):854-862
The reflectometry curves of an Nb(4 nm)/YFe2(40 nm, 〈110〉)/Fe(1.5 nm)/Nb(50 nm) sample measured in the synchrotron radiation of right- and left-handed circular polarization
for a set of wavelengths near the Y L
2,3 absorption edges have been used to determine the energy dependences of the component magnitudes for the X-ray susceptibility
tensor of YFe2 near the yttrium absorption edges, including off-diagonal magnetic additives. Our result is in good agreement with the normalized
experimental absorption and circular dichroism spectra and their Kramers-Kronig transformations. 相似文献
3.
Yu. N. Khaydukov Yu. V. Nikitenko L. Bottyan A. Rühm V. L. Aksenov 《Crystallography Reports》2010,55(7):1235-1241
A resonant enhancement of the neutron standing waves is proposed to use in order to increase the magnetic neutron scattering
from a “superconductor/ferromagnet” (S/F) bilayer. The model calculations show that usage of this effect allows to increase
the magnetic scattering intensity by factor of hundreds. Aspects related to the growth procedure (order of deposition, roughness
of the layers etc.) as well as experimental conditions (resolution, polarization of the neutron beam, background etc) are
also discussed. Collected experimental data for the S/F heterostructure Cu(32 nm)/V(40 nm)/Fe(1 nm)/MgO confirmed the presence
of a resonant 60-fold amplification of the magnetic scattering. 相似文献
4.
B. P. Sobolev I. A. Sviridov V. I. Fadeeva S. N. Sulyanov N. I. Sorokin Z. I. Zhmurova P. Herrero A. Landa-Canovas R. M. Rojas 《Crystallography Reports》2005,50(3):478-485
The nonstoichiometric Ca1−x
LaxF2+x
phase (x ≥ 0.1) is obtained by mechanochemical synthesis from CaF2 and LaF3 single crystals. This phase is the first representative of fluorite fluorides obtained by mechanochemical synthesis in the
MFm-RFn systems (m < n ≤ 4). The average grain size ranges within 10–30 nm. The temperature dependence of ionic conductivity of the mechanochemically
synthesized phase pressurized at 600 MPa (at its high-temperature portion at temperatures exceeding 200–250°C) coincides with
the conductivity of the single crystals of the same composition (Ca0.8La0.2F2.2). The activation energy of ionic conductivity (0.95 eV) corresponds to migration of interstitial fluoride ions in the crystal
bulk. Mechanochemical synthesis of a multicomponent fluoride material with nanometer grains opens a new chapter in the chemistry
of inorganic fluorides. A decrease of the sintering temperature of the powders with nanometer grains is very important for
preparing dense fluoride ceramics of complicated compositions and other polycrystalline forms of fluoride materials.
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Translated from Kristallografiya, Vol. 50, No. 3, 2005, pp. 524–531.
Original Russian Text Copyright ? 2005 by Sobolev, Sviridov, Fadeeva, Sul’yanov, Sorokin, Zhmurova, Herrero, Landa-Canovas,
Rojas. 相似文献
5.
Shin Hei Choi Kibong Kim Junseong Lee Youngkyu Do David G. Churchill 《Journal of chemical crystallography》2007,37(5):315-331
To explore the characteristics of potential fluorescent probes that could be used to screen prospective HDS catalysts, new
5-thienyl dipyrromethene derivatives have been prepared. 5-(2-thienyl)- (1a), 5-(3-thienyl)- (1b), and 5-(3-(2,5-dibromothienyl))-dipyrromethane (1c), were oxidized with DDQ (2,3-dichloro-5,6-dicyano-1,4-benzoquinone) separately to give the corresponding dipyrrins 2a–2c. These were subsequently treated with F3B·OEt2 to afford the respective N,N′-difluoroboryl-5-(thienyl)dipyrrin compounds, 3a–3c; the latter two may serve as polymer precursors. Significant fluorescence signal enhancement is achieved with 3a–3c over 2a–2c. Orange fluorescence is observed for 3a whereas its isomer 3b gives green fluorescence (365 nm). An X-ray diffraction study of 3a was performed (orthorhombic, P212121, a=10.684(10) ?, b=15.208(13) ?, c=7.256(6) ?, V=1179.0(17) ?3, Z=4, R
1=0.0428, wR
2=0.0686) and its geometry was studied by way of DFT (Gaussian 03; B3LYP/6-31G*) to give a HOMO/LUMO energy level difference of 414 nm, and a 2-thienyl group rotational barrier of ∼6 kcal/mol, compared to that of ∼12 kcal/mol for the phenyl derivative. Theoretical modeling of 2a demonstrated that the [N–H⋯N] interaction is favored by ca. 10 kcal/mol, whereas [N–H⋯S] bonding is sterically unattainable. 相似文献
6.
Noorjahan Begum Md. Iqbal Hyder G. M. Golzar Hossain Shariff E. Kabir Shafali R. Karmakar 《Journal of chemical crystallography》2005,35(10):799-807
Treatment of [Os3(CO)12] with indole in presence of a methanolic solution of Me3NO⋅2H2O at 60∘C afforded the previously reported compounds [(μ-H)Os3(CO)10(μ-OMe)] 2, [(μ-H)Os3(CO)10(μ-OH)] 3 and [Os3(CO)10(μ-OH)(μ-OMeCO)] 4 in 10, 5 and 20% yields, respectively. The reaction of [Os3(CO)10(MeCN)2] with indole at room temperature gave [(μ-H)Os3(CO)10(μ-1,2-η2-NC8H6)] 5 in 40% yield. Compounds 4 and 5 have been characterized by single crystal X-ray diffraction studies. Compound 4 crystallizes in the monoclinic space group P2(1)/c with a = 23.1239(3), b = 9.8087(4), c = 16.9017(6) ?, β = 92.6998(14)∘, Z = 8 and V = 3829.3(2) ?3 and 5 crystallizes in the monoclinic space group P2(1)/c with a = 9.009(3), b = 9.764(4), c = 24.906(6) ?, β = 93.452(14)∘, Z = 4 and V = 2186.9(13) ?3. Compound 4 consists of an open cluster of three osmium atoms with the hydroxy and methoxycarbonyl ligands bridging the open Os–Os edge.
Compound 5 consists of an isosceles triangle of osmium atoms with one elongated Os–Os edge which is bridged by the hydride and the indolyl
ligands. 相似文献
7.
Abstract
A new acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2 has been synthesized and characterized by elemental analysis, 1H, 13C and 31P NMR, IR and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group P[`1] P\bar{1} , with a = 10.5868(16) Å, b = 11.8058(18) Å, c = 12.4364(19) Å, α = 65.410(3)°, β = 67.492(4)°, γ = 85.879(3)°, V = 1,298.6(3) Å3, and Z = 2. The intermolecular PO···HN hydrogen bond makes H-bonded dimer of molecule with Ci symmetry. In the crystal network, the dimers are aggregated in the chain arrays through π-stacking between p-NO2–C6H4–C(O)–NH– moieties. Moreover, weak C–H···O and C–H···π interactions exist in the crystal network. 相似文献8.
Kuheli Das Chittaranjan Sinha Amitabha Datta Neerish Revaprasadu 《Journal of chemical crystallography》2011,41(7):1032-1035
Abstract
The nickel(II) complex, Ni[C5H4N–CH=N–N=C(O)–C6H5]2 (1) containing a N,N,O-donor hydrazone ligand, which is the 1:1 condensation product of benzhydrazide and pyridine-2-carboxaldehyde has been synthesized and characterized by single crystal X-ray diffraction technique, spectral study and room-temperature magnetic moments. Structural investigation shows that 1 crystallizes to a monoclinic system, having space group P2(1)/c, a = 11.221(4), b = 8.893(3), c = 23.026(8) ?, β = 90.605(14)°, and Z = 4. The central nickel atom is in an N4O2 coordination sphere developed with the NNO donor sets of the two independently hydrazone ligands. The Ni–N (pyridine), Ni–N (imine) and Ni–O (enolate) bond distances are 2.144(2) and 2.128(2); 1.980(2) and 1.985(2); 2.0782(17) and 2.1106(17) ?, respectively. The effective magnetic moment (μ eff) value of 1 is found to be 3.10 B.M. at 300 K. 相似文献9.
Abstract
Three saccharinate salts (2-aminopyrimidine): (saccharin) (1), (4-phenylthiazol-2-amine): (saccharin) (2), and (2-methylquinoline): (saccharin) (3) were prepared and structurally characterized by X-ray crystallography. Salt 1 crystallizes in the monoclinic, space group P2(1)/c, with a = 7.1782(9) ?, b = 13.5105(16) ?, c = 12.2251(12) ?, β = 93.3410(10)°, V = 1183.6(2) ?3, Z = 4. Compound 2 crystallizes in the triclinic, space group P-1, with a = 7.4584(7) ?, b = 8.6930(9) ?, c = 12.9179(14) ?, α = 108.952(2)°, β = 91.7510(10)°, γ = 97.2280(10)°, V = 783.57(14) ?3, Z = 2. Compound 3 crystallizes in the monoclinic, space group P2(1)/c, with a = 7.781(8) ?, b = 19.4209(19) ?, c = 10.9719(12) ?, β = 107.7390(10)°, V = 1579.2(16) ?3, Z = 4. The different hydrogen bonding interaction modes of the saccharinate anions and the cations lead to 3D network structure, 3D staircase structure, and 3D ABAB layer structure for 1, 2, and 3 respectively. Despite variations in the cation shape on the aromatic N–heterocyclic compounds, there all existed strong intermolecular N–H⋯O(carbonyl) hydrogen bonds. In compounds 1, and 3 the N+–H⋯O interaction between the N+–H group of the cation and the C=O group of the saccharinate anion is the most important interaction in this family of salts. However, in 2, there was a N–H⋯O interaction between the amino proton and the C=O group of the saccharinate anion. At the next level, the aromatic C–H proton interacts with the sulfonyl O atom. There are also π–π interactions in compounds 1–2, there is CH3–π interaction in 3. Under these interactions the three compounds exhibit synthons I–III respectively. These interactions are responsible for the high-yielding supramolecular assembly of N-containing aromatic bases and the saccharinate into salts. 相似文献10.
Fernando Rascón-Cruz Sandra González-Gallardo Miguel A. Muñoz-Hernández Rubén A. Toscano Verónica García-Montalvo 《Journal of chemical crystallography》2009,39(7):530-534
Abstract Synthesis and X-ray structural determination of three phosphorus compounds are reported. (3b) is monoclinic P2(1)/c with a = 11.852(1), b = 12.825(1), c = 12.445(1) ?, β = 103.693(1)o; (4a) and (4b) are monoclinic P2(1)/n with a = 12.1422(16), b = 9.0860(12), c = 14.845(2) ?, β = 96.498(3)o for (4a), and a = 12.2714(16), b = 9.2812(12), c = 14.800(2) ?, β = 97.176(2)o for (4b). They all exhibit distorted tetrahedral geometry about the P atom. Ph2P(X)NHC7H7 (X=S (4a) and X=Se (4b)) show typical P–S and P–Se double bond distances and P–N single bonds, while P–S bond in 1-Ad2P(S)Cl (3b) is comparable to P–S single bonded probably due to the largeness of 1-adamantyl groups.
Graphical Abstract Synthesis and X-ray structural determination of 1-Ad2P(S)Cl (3b), Ph2P(S)NHC7H7 (4a) and Ph2P(Se)NHC7H7 (4b) are reported.
相似文献
11.
Amitabha Datta 《Journal of chemical crystallography》2009,39(9):619-622
Abstract The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a new tridentate Schiff base ligand (LH), which is the 1:1 condensation product of 2-(aminomethyl)pyridine and o-vaniline, has been synthesised and characterized by IR and UV–Vis spectra. Structural investigation shows that 1 crystallizes to a monoclinic system, having space group P2(1)/c, a = 6.9634(7), b = 18.1209(19), c = 10.3448(11) ?, α = 90°, β = 103.97(2)°, γ = 90° and Z = 4. The coordination geometry around the copper atom is slightly distorted square planar, formed by the N2O donor set of the Schiff base and one Cl atom. The Cu–N(1), Cu–N(2), Cu–O(1) and Cu–Cl bond distances are 2.0114(14), 1.9414(14),
1.9147(12) and 2.2520(5) ?, respectively.
Index Abstract The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a tridentate Schiff base ligand (LH), synthesised and characterized by IR and UV–Vis spectra. The central copper
ion possesses a distorted square-planar geometry.
相似文献
12.
Kuheli Das Chittaranjan Sinha Amitabha Datta 《Journal of chemical crystallography》2012,42(2):150-154
Abstract
The manganese(II) complex, Mn[C5H4N–C(CH3)=N–N=C(O)–C6H5]2 (1) containing N,N,O-donor hydrazone ligand is characterized by X-ray diffraction study. The ligand is the 1:1 condensation product of benzhydrazide and 2-acetylpyridine. The spectral, cyclic voltammetric and room-temperature magnetic moment data are used to establish structure and electronic structure of the compound. Structural investigation shows that 1 crystallizes to a monoclinic system, space group C2/c, a = 22.8367(13), b = 10.1523(6), c = 12.0736(7) Å, α = γ = 90°, β = 116.5930(10)°, and Z = 4. The central manganese atom is in an N4O2 coordination sphere constituted by the NNO donor sets of the two independently hydrazone ligands. The Mn–N1, Mn–N2 and Mn–O1 bond distances are 2.3255(15), 2.1854(13) and 2.1361(13) Å, respectively. The effective magnetic moment (μeff) value of 1 is found to be 5.92 B.M. at 300 K. Cyclic voltammetry shows Mn(III)/Mn(II) couple at 0.9 V and imine reductions at −0.68 and at −1.3 V. 相似文献13.
L. M. Blinov S. P. Palto V. V. Lazarev A. R. Geivandov S. G. Yudin 《Crystallography Reports》2006,51(5):843-849
An antiferroelectric liquid-crystal (LC) material formed of banana-shaped molecules in the sandwich metal-thin Langmuir-Blodgett
film-metal geometry, which is typical of solid-state technology, is investigated. Upon heating the thin-film elements, the
material passes to the high-temperature (68–127°C) LC B
2 phase, which, despite severe limitation on the film thickness (∼100 nm or less), exhibits antiferroelectric switching, which
was previously observed only in bulk samples (10 μm thick) of the LC studied. At film thicknesses smaller than ∼40 nm, ferroelectric
switching is observed, which is caused by the stabilization of the ferroelectric LC phase by the boundary surfaces. The largest
values of the switched polarization of films (∼400 nC/cm2) are comparable with the polarization of bulk samples. The coercive field increases with decreasing film thickness and reaches
∼106 V/cm for the thinnest films. This value corresponds to the intrinsic coercive field of the ferroelectric under conditions
of a strong surface effect, which suppresses domain processes.
Published in Russian in Kristallografiya, 2006, Vol. 51, No. 5, pp. 898–905.
Dedicated to the 60th Birthday of M.V. Kovalchuk
The text was submitted by the authors in English. 相似文献
14.
Núbia Boechat M?nica M. Bastos Lindalva C. Maciel Warner B. Kover Solange M. S. V. Wardell James L. Wardell 《Journal of chemical crystallography》2011,41(6):874-879
Abstract
The compounds, N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)difluoromethyl]-4-chlorophenyl}acetamide (1: X = Cl) and N-{2([(5-amino-1,3,4-thiadiazol-2-yl)difluoromethyl]-4-bromo-phenyl}acetamide (1: X = Br), are isostructural. The molecules are near ‘‘V’’ shaped with the angles between the two aromatic planes ca. 84° in each case. The various intermolecular interactions, namely N–H···O, N–H···N, N–H···F, and C–H···N hydrogen bonds and C–H···π, C–Cl···π and C–O···π interactions, generate 3-D arrays. Compound (1: X = Cl) crystallizes in the monoclinic space group P21/c with a = 16.9032(7) ?, 10.2193(4) ?, c = 7.5227(4) ?, β = 100.179(3)° and Z = 4. Compound (1: X = Br) crystallizes in the monoclinic space group P21/c with a = 17.2119(4) ?, 10.2167(2) ?, c = 7.5677(2) ?, β = 100.326(2)° and Z = 4. 相似文献15.
The results of neutron diffraction studies of the effect of the isotopic substitution 16O → 18O in Sm1 − x
SrxMnO3-type (x = 0.45 and 0.50) manganites are considered. The parameters of the crystal and magnetic structures of the samples are determined
in the temperature range 1.4–300.0 K. It is shown that the isotopic substitution considerably changes the phase diagram of
manganites. The results of the earlier macroscopic studies of the same samples are confirmed.
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Translated from Kristallografiya, Vol. 49, No. 6, 2004, pp. 995–1002.
Original Russian Text Copyright ? 2004 by Kurbakov, Trunov, André. 相似文献
16.
Ambika Sambyal R. K. Bamezai T. K. Razdan Vivek K. Gupta 《Journal of chemical crystallography》2011,41(6):868-873
Abstract
The title compound, (2S,6R), Ethyl 1,2,6-triphenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate (C32H30N2O2), was synthesised by the reaction of benzaldehyde, aniline and ethylacetoacetate, in the presence of l (−) proline–Fe(III) complex, formed in situ, at room temperature. The compound was characterized by spectral methods and X-ray diffraction studies. The compound crystallizes in the triclinic space group P − 1 with the following unit-cell parameters: a = 9.651(4), b = 10.909(5), c = 13.737(7) ?, α = 106.597(7), β = 108.664(8), γ = 99.779(6)°, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at 100 K and refined by full-matrix least-squares procedures to a final R-value of 0.0633 for 3415 observed reflections. The 1,2,5,6-tetrahydropyridine ring exhibits a flat boat conformation. The structure has intra- and intermolecular hydrogen bonds of the type N–H···O, C–H···O and C–H···π, which help to stabilize the crystal structure. 相似文献17.
Yapeng Shi Xinzhong Lu Feng Fu Ganglin Xue Huaiming Hu Jiwu Wang 《Journal of chemical crystallography》2005,35(12):1005-1010
A novel bifunctionalized arylimido derivative of hexamolybdate [n-Bu4N]2[Mo6O17(o,p-(MeO)2C6H3N)2] (1) was synthesized by self-assembled metathesis of α-type octamolybdate ion and 2,4-dimethoxyaniline and structurally characterized
by crystal X-ray diffraction. Crystallographic data for1: monoclinic system, space group:C2/c,a = 17.319(4),b = 18.087(4),c = 21.357(5) ?, β = 106.486(4),V = 6415(2) ?3, andZ = 4,Dc = 1.693 g/cm3,R1 = 0.0439. The complex has a short Mo–N bond length of 1.735(5) ? and an imido (Mo–N–C) bond angle of 177.8(4)∘. The complex has also been characterized by1H NMR, IR, and UV–vis spectroscopy. 相似文献
18.
Diego Martínez-Otero José G. Alvarado-Rodríguez Noemí Andrade-López 《Journal of chemical crystallography》2010,40(6):531-535
Abstract
The synthesis and molecular structure of (phenoxathiin-4,6-dithiolate)tellurium(II) is described. [Te{S(C6H3S)2O}] was synthesized from the reaction of 4,6-dimercaptophenoxatiin and TeCl4 in 36% yield. The crystal structure was determined by single crystal X-ray diffraction analysis. Crystal data: [Te{S(C6H3S)2O}], formula weight = 389.95, crystallized in monoclinic system, space group P2(1)/n with a = 7.7898(10) ?, b = 18.513(2) ?, c = 8.9898(11) ?, β = 105.974(2)°, V = 1246.4(3) ?3 and Z = 4. The tetracyclic compound is non-planar with a di-coordinate TeII atom. The eight-membered central ring is in a boat–chair conformation. The title compound displays weak intermolecular contacts Te–S, S–S and C–H⋯S. 相似文献19.
Nitu Mahajan Pinki Kotwal Vivek K. Gupta T. K. Razdan 《Journal of chemical crystallography》2011,41(5):742-746
Abstract
Crystal structure analysis of the novel 2-amino-4,6,6-trimethyl-cyclohex-2-en-1,1,3,4(S)-tetracarbonitrile, obtained in 70% yield, by the Bi(OTf)3 catalyzed reaction of acetone and malononitrile, at room temperature, is described. For the first time Bi(OTf)3–Et3N has been used in this inverse electron demand Diels–Alder cycloaddition reaction involving the participation of carbonitrile π-bond. The structure of the molecule was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the monoclinic space group P21/n with unit cell parameters: a = 8.0580 (17), b = 13.038 (3), c = 12.641 (3) ?, β = 101.883 (4)°, Z = 4. The crystal structure was solved by direct methods and refined to R = 0.0506 for 2,456 observed reflections. The cyclohexene ring of the molecule adopts a distorted sofa conformation. The molecules in the unit cell are arranged in layers. The crystal structure in stabilized by C–H⋯N and N–H⋯N interactions. 相似文献20.
Chang-Ge Zheng Qian-Li Qian Yan-Fu Liu Chun-Lei Ma Jian-Quan Hong Song Li Xiu-Ying Chen 《Journal of chemical crystallography》2010,40(1):19-24