共查询到19条相似文献,搜索用时 156 毫秒
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氯代通关素分子式为C23H33O5Cl。结晶属单斜晶系,空间群为C22P21,晶胞参数a=15.782(7)?,b=8.454(4)?,c=8.074(4)?,β=101.08(21)°,晶胞内分子数z=2。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点为2097个。用直接法(MULTAN-78)测定晶体结构,结构参数的修正采用准对角矩阵最小二乘法,R为0.075。由差值Fourier图获得氢原子位置,两个甲基上的氢原子则呈现位置无序性质。氯代通关素分子保持了通关素分子的构象特征,B环与C环,C环与D环明显地呈现顺式联结。
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题目化合物(C22H18O2ClBr)为单斜晶系,空间群为(P21)/n,晶胞参数a=19.502(10)?,b=9.118(5)?,c=11.233(6)?;β=88.18(1)°。结构由MULTAN-80确定。首先在E图上确定了溴原子位置,由加权傅里叶综合定出了其余26个非氢原子坐标。原子坐标按各向同性和各向异性温度因子各修正两轮后,计算差值电子密度图,从差值图上找出了全部氢原子。氢原子坐标按各向同性和非氢原子按各
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当k的值不大时(例如k≤4),诸系数γiγi*,βkρ,βkρ*易于手工计算。但对大的k值(例如k≥5),手工计算已非易事。利用著名的计算机代数软件:REDUCE[a],我们可以很容易地计算出诸系数γi,γi*,βkρ,βkρ*。 相似文献
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异垂盆草甙元晶体属单斜晶系,空间群为C222-P21,晶胞参数α=12.185(±0.005)?,b=10.318(±0.005)?,c=4.853(±0.004)?,β=98.80(±0.08)°,晶胞内分子数z=2。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点1139个。以直接法(MULTAN-78)测定分子结构。结构参数的修正采用准对角矩阵最小二乘法,R=0.058。由差值傅里叶图就得全部氢原子位置。异垂盆草甙元的分子间存在着氢键,平均键长为2.869?。
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二甲亚砜硝酸铕Eu(NO3)3·4DMSO晶体属单斜晶系。空间群为C2/c-C62h。晶胞参数a=14.806(9)?,b=10.948(3)?,c=15.335(4)?,β=108.07(7)°晶胞内分子数z=4。用PW-1100四圆衍射仪收集强度数据,独立衍射点数为2270个。用重原子法解晶体结构。结构参数用全矩阵及方块矩阵最小二乘法修正,最后R因子为0.069。铕离子由10个氧原子配位。铕和配位氧之间的距离:Eu—ODMSO=2.38?,Eu—O(NO3)=2.61?。
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脲嘧啶3′,5′-环核苷酸(c-UMP)结晶为无色透明晶体,分子式为C9,H11O8N2P,属单斜晶系,空间群C21P2。晶胞参数α=10.767(6)?,b=7.152(4)?,c=1O.414(5)?,β=112.77(31)°,晶胞内分子数z=2。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点为1658个。应用Patterson法、直接法和Fourier综合法测定c-UMP分子结构。晶胞中呈现部分无序分布的溶剂分子。以对角矩阵最小二乘法修正结构参数,R=0.084。
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X-ray diffraction is used to study the temperature dependence of the lattice parameters and the sequence of structural realignments
in crystalline Rb2ZnCl4 over temperatures of 4.2–310 K. The appearance of and changes in the system of satellite reflexes indicative of structural
ordering are studied. Below 74 K, on going into the monoclinic phase (space group A11a), anomalies are observed in the behavior of the lattice parameters, and superstructural reflexes develop with wave vectors
q=a
*/3+b
*/2+c
*/2 corresponding to an increase by a large factor in initial parameters a, b, and c of the Pnma-phase.
Fiz. Tverd. Tela (St. Petersburg) 41, 1084–1090 (June 1999) 相似文献
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The structure of annealed titanium monoxide TiO1.087 containing monoclinic ordered phase Ti5O5 was studied by electron diffraction. Along with the set of structural, superstructural, and extra reflections, the diffraction pattern of titanium monoxide shows a set of plane diffuse fringes in the (112)B1* section of the reciprocal lattice of the basis cubic structure B1. It is shown that some of the extra reflections are due to the twinning of the monoclinic superstructure along the (?1?11) plane of the reciprocal lattice of the basis cubic structure. The diffuse contours enclose plane areas of the reciprocal space with the fixed values of wave vectors K100 ~ ±(h+0.07)k100, K010 ~ ±(k+0.07)k010, and K001 ~± (l+0.07)k001 of the B1 structure. Their appearance is associated with the short-range displacement order. 相似文献
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在八个(111)面磁泡膜上,观察了施加面内(in-plane)磁场后在不同晶轴方向上条状畴的消失过程,测量了条畴消失场Hs*和磁畴消失场Hk*与面内磁场的方向的关系。本文计及立方磁晶各向异性,完善了面内磁场中条畴的稳定性理论。用该理论定性地解释了实验结果的主要特点。导出了Hs*与立方各向异性及面内场方向的两种近似的理论关系,它们分别适用于面内场方向靠近和不十分靠近〈110〉晶轴的情形。它们和实验结果是大致符合的。在〈110〉晶轴上,理论关系具有下列简单的形式:Hk*<110>=Hs*<110>=Hk{1+(k1/2Ku)-[al/h(4πMs/Hk)2]2/3},此式与实验结果符合得相当好。
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Sandeep Kumar Shyam Bahadur Rai Chandana Rath 《Particle & Particle Systems Characterization》2019,36(6)
The development of latent fingerprints (LFPs) detected at the site of crime is considered as an imperative physical evidence in forensic investigations. Herein, a rapid and cost‐effective approach using nonhazardous Dy and Sm codoped HfO2 nanophosphors is demonstrated to be utilized for LFP imaging. Sol–gel method can produce Dy and Sm codoped HfO2 of monoclinic phase with crystallite size ranging from ≈10 to 25 nm. While selected area electron diffraction and lattice spacing calculated from high‐resolution transmission electron microscopy confirm monoclinic phase, Le‐Bail profile refinement of X‐ray diffraction (XRD) patterns demonstrate an exponential increase in lattice volume with incorporating various concentrations of Dy and Sm in HfO2 lattice. Exciting Dy and Sm codoped HfO2 with 393 nm photoluminescence spectra show emissions in blue, yellow, and near red regions emerging primarily due to energy transfer from Dy3+ to Sm3+ through multipolar interaction suggested by time resolved decay spectra. Combining excitation and emission spectra, an energy band diagram is proposed. Owing to excellent emissions, Dy and Sm codoped HfO2 are explored for LFP imaging with good selectivity and resolution over multivariate surfaces like float glass and aluminum foil. The third‐level details like enclosure and termination–bifurcation are extracted due to nanosized nature of particles. 相似文献
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Y.X. Yang M.L. Liu H. Zhu Y.R. Chen G.J. Mu X.N. Liu Y.Q. Jia 《Journal of magnetism and magnetic materials》2008
β-FeOOH nanoparticles have been prepared in a microemulsion system with nonionic surfactant polyoxyethylene(4)nonylphenylether CH3(CH2)8C6H4O(CH2OCH2)4H. The powder X-ray diffraction, infrared spectra, and transmission electron microscopic images indicate that the products are 20–30 nm length nanorods with a crystal structure belonging to monoclinic β-FeOOH and lattice parameters of a=0.9981, b=0.2948, c=1.0485 nm and β=92.26°. The size and shapes of β-FeOOH nanoparticles can be manipulated by the surfactant. The modified β-FeOOH nanoparticles are paramagnetic at room temperature and may be antiferromagnetic or weakly ferrimagnetic at lower temperatures. The 57Fe Mössbauer spectra show that the magnetic structure transforms below 150 K and two kinds of Fe–O octahedra exist in the lattice of the modified β-FeOOH nanoparticles. The numbers of each kind of Fe–O octahedra are not the same at room temperature or at low temperatures. 相似文献
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The nanostructured powder prepared by critical CO2 extraction of the urea-assisted wet chromia gel mixture at 373 K in vacuum was studied by X-ray diffraction techniques. Thermoanalytical methods showed the presence of the lattice water molecules in the resulting phase corresponding to a chemical formula CrOOH·2H2O. The CrOOH·2H2O nanocrystals of 3-5 nm in diameter were observed in transmission electron microscopy and their structure was derived from the Rietveld analysis in which the disorder contribution to the X-ray scattering was implemented. The structural model shows that the hexagonal unit cell of α-CrOOH undergoes monoclinic distortion with half of the O−2 anions and OH− groups being replaced by bonded water molecules in the three-dimensional packing resulting in half of the sites in regular Cr+3 octahedra being vacant. Further examination of the quasi-crystalline disordered state of the CrOOH·2(H2O) nanocrystals was performed by model independent method of Radial Distribution Function (RDF). This complementary technique is sensitive to the molecular composition and allows to assess the average atomic (or electron) density distribution and the spacings of the atomic arrangements in the nearest neighbor shells comprising the range of the crystalline order in the structure of this material. 相似文献
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Local structural order and temperature-dependent structural variation have been studied in the molecular-based layer ferrimagnet (n-C4H9)4N FeIIFeIII(C2O4)3 by EXAFS and high resolution X-ray powder diffraction. The EXAFS spectra measured at the Fe K-edge are successfully modelled by successive O, C, O and metal shells, showing that even when there is extensive structural disorder due to stacking faults, the local structural order in this class of ferrimagnets is fully retained. In this salt, which shows remarkable negative magnetisation at low temperature (Néel class Q), the EXAFS Debye-Waller factor has a discontinuity at 40 K, corresponding to one found in the magnetisation. At the same temperature there is also a change in the expansion of the lattice as evidenced by the high resolution X-ray powder diffraction. 相似文献