Bonding Characteristics, Thermal Expansibility, and Compressibility of RXO4 (R = Rare Earths, X = P, As) within Monazite and Zircon Structures

Systematically theoretical research was performed on the monazite- and zircon-structure RXO4 (R = Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu; X = P, As) series by using the chemical bond theory of dielectric description. The chemical bond properties of R-O and X-O bonds were presented. In the zircon phase, the covalency fractions of X-O bonds increased in the order of V-O < As-O < P-O, which was in accordance with the ionic radii and electronegative trends, and the covalency fractions of R-O bonds varied slightly due to the lanthanide contraction. While in the monazite phase, both R-O and X-O bonds were divided into two groups by their covalency fractions.

Syntheses and crystal structures of bis(tetrahydrofurfurylindenyl) lanthanocene chlorides (C4H7OCH2C9H6)(2)LnCl (Ln = Nd, Sm, Dy, Ho, Er, Yb)

Reaction of anhydrous lanthanide trichlorides with tetrahydrofurfuryl indenyl lithium in THF afforded bis(tetrahydrofurfurylindenyl) lanthanocene chlorides complexes (C4H7OCH2C9H6)(2) LnCl, Ln = Nd (1), Sm (2), Dy (3), Ho (4), Er (5), Yb (6). The X-ray crystallographic structures of all the six complexes were determined and these indicate that they are unsolvated nine-coordinate monomeric complexes with a trans arrangement of both the sidearm and indenyl rings in the solid state. They belong to the same crystal system (orthorhombic) and space group (P2(1)2(1)2(1)) with the same structure. Especially, they are more stable to air and moisture than the corresponding unsubstituted indenyl lanthanide complexes.

La_(0.5)R_(0.5)Ba_2Cu_3O_7,Pr_(0.5)R_(0.5)Ba_2Cu_3O_7以及RBa_2Cu_3O_7(R=稀土)的键共价性计算

使用复杂晶体化学键理论计算了La0 .5R0 .5Ba2 Cu3O7(R =Pr,Nd ,Sm ,Eu ,Gd ,Dy ,Y ,Ho,Er,Tm ,Yb ,Lu) (La-R12 3) ,Pr0 .5R0 .5Ba2 Cu3O7(R =La ,Nd ,Sm ,Eu ,Gd ,Dy ,Ho ,Y ,Er,Tm ,Yb ,Lu) (Pr -R12 3)以及RBa2 Cu3O7(R =La ,Pr,Nd ,Sm ,Eu ,Gd ,Dy ,Ho ,Y ,Er,Tm) (R12 3)中Cu—O键的键共价性 ,结果表明Pr-R12 3,La-R12 3,以及R12 3都应具有超导性 ,而实验结果是La0 .5Pr0 .5Ba2 Cu3O7,R0 .5Pr0 .5Ba2 Cu3O7(R =La,Nd ,Sm ,Eu ,Gd)无超导性 .产生这种矛盾的原因尚不明确 ,需要做进一步的研究.

The photo-induced decarbonylation of Cp ' M(NO)(CO)(2) (M = Cr, Mo, W) with diorgano dichalcogenides (R2E2; E = S, Se; R = Me, Ph)

The photo-induced decarbonylation of Cp'Cr(NO)(CO)(2) (1a) in MeCN solution in the presence of R2E2 (E = S, Se; R = Me, Ph) leads to the formation of chalcogenolato-bridged binuclear complexes Cp-2'Cr-2(NO)(2)(mu -ER)(2) [E = S; R = Me (2a), Ph (3a); E = Se, R = Me (4a), Ph (5a)] while reactions between Cp'M(NO)(CO)(2) [M = Mo (1b), W (1c)] and Ph2E2 (E = S, Se) result in mononuclear complexes Cp'M(NO)(EPh)(2) [M = Mo; E = S (9b), Se (10b); M = W, E = S (11c), Se (12c)]. The corresponding reactions of (1b) with Me2E2 (E = S, Se) yielded both mono and binuclear complexes: Cp'Mo(NO)(SeMe)(2) (8b), Cp-2'Mo-2(NO)(2)(mu -EMe)(2) [E = S (6b), Se (7b)]. The new complexes have been characterized by i.r., H-1-, C-13-n.m.r. spectra and by electron-impact mass spectrometry.

Synthesis, crystal structure and magnetic properties of a series of polymeric lanthanoid-copper complexes [Ln(2)Cu(3){O(CH2-CO2)(2)}(6)].nH(2)O (Ln=La, Nd, n=9; Ln=Er, n=6)

The reaction of diglycolic acid, O(CH2CO2H)(2), with Cu(NO3)(2) . H2O and lanthanoid nitrate hydrate produces a series of novel Ln-Cu mixed metal complexes, [Ln(2)CU(3){O(CH2CO2)(2)}(6)]. nH(2)O (Ln = La, Nd, n = 9; Ln = Er, n = 6), which have been characterized by elemental analysis, i.r. spectroscopy, magnetic measurements and X-ray crystallography. The Ln(3+) and Cu2+ ions are connected by the carboxylate groups of the ligands, resulting in the formation of a complicated network.

STRUCTURE OF AN ERBIUM COORDINATION COMPOUND WITH L-PROLINE, ([ER(PRO)2(H2O)5]CL3)(N)

catena-Poly[{pentaaqua(L-proline-O)-erbium-mu-(L-proline-O:O')} trichloride], {[Er(C5H9-NO2)2(H2O)5]Cl3}n, M(r) = 594.0, monoclinic, P2(1), a = 8.294 (1), b = 10.981 (3), c = 11.934 (3) angstrom, beta = 107.04 (2)degrees, V = 1039.2 (4) angstrom3, Z = 2, D(x) = 1.90 g cm-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 45.2 cm-1, F(000) = 586, T = 298 K, R = 0.0244 for 1711 unique reflections [I > 3 sigma(I(o))]. The crystal consists of one-dimensional chains of infinite length in which one L-proline ligand bridges two neighboring Er ions, the other L-proline ligand being monodentate.

(η~5-C_9H_7)_3Ln·OC_4H_8(Ln=Nd、Gd、Er)的合成及晶体结构

合成了三茚基稀土配合物(η~5-C_9H_7)_3Ln·OC_4H_8(Ln=Nd、Gd、Er),经元素分析、红外光谱、水解产物核磁共振谱及质谱表征,并测得了(η~5-C_9H_7)_3Nd·OC_4H_8(1)及(η~5-C_9H_7)_3Gd·OC_4H_8(2)的晶体结构。(1)、(2)均属六方晶系,P6_3空间群,Z=2。(1)的晶体学参数为a=b=1.1843(3)nm,c=1.0304(4)nm,V=1.25165(87)nm~3,D_c=1.49g·cm~(-3),最后一致性因子R=0.049;(2)的晶体学参数a=b=1.1805(2)nm,c=1.0236(2)nm,V=1.23536(56)nm~3,D_c=1.54 g·cm~(-3),R=0.023。平均Nd-C=0.2812nm,Gd-C=0.2795nm;Nd-O=0.2557(21)nm,Gd—O=0.2459(13)nm。配合物中四氢呋喃的四个碳原子处于完全无序状态。

SYNTHESES AND CRYSTAL-STRUCTURES OF TRIINDENYLLANTHANIDE COMPLEXES (ETA-5-C9H7)3LN.OC4H8 (LN=ND,GD,ER)

The complexes named in the title (eta-5-C9H7)3Ln.OC4H8 (Ln = Nd, Gd, Er) were synthesized by the reaction of anhydrous lanthanide trichlorides with indenyl potassium and cyclooctadienyl potassium (1:2:1 molar ratio) in THF. The complexes were characterized by elemental analysis, infrared and H-1-NMR spectroscopy, and mass spectrometry. In addition, the crystal structures of (eta-5-C9H7)3Nd.OC4H8 (1) and (eta-5-C9H7)3Gd.OC4H8 (2) were determined by an X-ray diffraction study. Complexes 1 and 2 belong to hexagonal space group P6(3) with unit cell parameters a = b = 11.843(3), c = 10.304(4) angstrom, V = 1251.7(9) angstrom-3, D(c) = 1.49 g.cm-3, Z = 2 for 1, and a = b = 11.805(2), c = 10.236(2) angstrom, V = 1235.4(6) angstrom-3 D(c) = 1.54 g.cm-3, Z = 2 for 2. The structures were solved by Patterson and Fourier techniques and refined by least-squares to final discrepancy indices of R = 0.049, R(w) = 0.053 using 925 independent reflections with I greater-than-or-equal-to 3-sigma(I) for 1, and R = 0.023, R(w) = 0.025 using 1327 independent reflections with I greater-than-or-equal-to 3-sigma(I) for 2. Coordination numbers for Nd3+ and Gd3+ are 10; the average bond lengths Nd-O and Gd-O are 2.557(21) and 2.459(13) angstrom, respectively. The structural studies showed the complexes to have 3-fold symmetry, but the THF molecule has no such symmetry; consequently the arrangement of carbon atoms in the THF molecule are disordered.

微碳深冲钢板的非｛111｝织构特征及其对r,△r值的影响

From St15 micro-carbon deep drawing steel sheets, two sets of samples with (r) over bar variant and Deltar constant, and (r) over bar constant and Deltar variant, were selected to carry out texture measurement and ODF analysis. A description of the texture characteristics and an investigation on the effect of the main textures on the (r) over bar and Deltar values were given. The results show that in the tested steel sheets no desired gamma < 111 > parallel to ND orientation line appears but gamma' orientation line located at <()over bar>=0-90 degrees, theta =19 degrees and phi =45 degrees, and L orientation line located around gamma < 111 > parallel to ND orientation line which spirally rotates from Psi =0 degrees, theta =54.7 degrees and phi =62.7 degrees to Psi =90 degrees, theta =40 degrees and phi =45 degrees occur. Among them, the L orientation line has a main influence on the (r) over bar value and the stronger the texture density, the higher the (r) over bar value is, but is somewhat detrimental to the Deltar value; at the same time, the gamma' orientation line has a major effect on the Deltar value in an opposite way, but is somewhat deteriorative to the (r) over bar value. A strong L orientation line superposed by a relatively strong gamma' orientation line may produce fine (r) over bar and Deltar values.

加卸载响应比(LURR)、矩／能量加速释放(AM/ER)、态矢量:岩石试件破坏前兆的实验研究

为了验证大地震发生前或者非均匀脆性介质宏观破坏前加卸载响应比和能量加速释放等前兆现象,本文进行了三轴应力(压缩)条件下大尺度岩石破坏声发射实验。实验采用4组岩石试件,并且分为单调加载和循环加载两种方式。实验结果证明了脆性材料宏观破坏前加卸载响应比升高和能量加速释放这两种前兆现象。本文提出了一种描述岩石试件损伤演化的新的物理量——态矢量。

Numerical Simulation of R-M Instability

In order to capture shock waves and contact discontinuities in the field and easy to program with parallel computation a new algorithm is developed to solve the N-S equations for simulation of R-M instability problems. The method with group velocity control is used to suppress numerical oscillations, and an adaptive non-uniform mesh is used to get fine resolution. Numerical results for cylindrical shock-cylindrical interface interaction with a shock Mach number Ms=1.2 and Atwood number A=0.818, 0.961, 0.980 (the interior density of the interface/outer density p(1)/p(2) = 10, 50, 100, respectively), and for the planar shock-spherical interface interaction with Ms=1.2 and p(1)/p(2) = 14.28are presented. The effect of Atwood number and multi-mode initial perturbation on the R-M instability are studied. Multi-collisions of the reflected shock with the interface is a main reason of nonlinear development of the interface instability and formation of the spike-bubble structures In simulation with double mode perturbation vortex merging and second instability are found. After second instability the small vortex structures near the interface produced. It is important factor for turbulent mixing.

Single mode Er-doped pi-phase-shifted distributed feedback fibre grating laser

A novel method incorporating the shielded method and the post-processing method has been proposed to fabricate the pi-phase-shilted fibre grating. Then an Er-doped pi-phase-shifted distributed feedback fibre grating laser has been fabricated using the grating. The laser threshold is 20 mW. When pumped with 90 mW light at 980 nm, the laser gives an output of 1.1 mW. Its signal-to-noise ratio is better than 60 dB. It is demonstrated that the laser is single mode operation by means of a Fabry-Perot scanning interferometer.

Strong visible up-conversion emissions and thermometric applications of Er3+-Yb3+ codoped Al2O3 prepared by the sol-gel method

The Er3+-Yb3+ codoped Al2O3 has been prepared by the sol-gel method using the aluminium isopropoxide [Al(OC3H7)(3)]-derived Al2O3 sols with addition of the erbium nitrate [Er(NO3)(3) center dot 5H(2)O] and ytterbium nitrate [Yb(NO3)(3) center dot 5H(2)O]. The phase structure, including only two crystalline types of doped Al2O3 phases, theta and gamma, was obtained for the 1 mol% Er3+ and 5 mol% Yb3+ codoped Al2O3 at the sintering temperature of 1,273 K. By a 978 nm semiconductor laser diodes excitation, the visible up-conversion emissions centered at about 523, 545, and 660 nm were obtained. The temperature dependence of the green up-conversion emissions was studied over a wide temperature range of 300-825 K, and the reasonable agreement between the calculated temperature by the fluorescence intensity ratio (FIR) theory and the measured temperature proved that Er3+-Yb3+ codoped Al2O3 plays an important role in the application of high temperature sensor.

Theoretical modelling of the effect of photon lifetime on the output dynamics of Er-doped distributed feedback fibre lasers

By employing a simple model of describing three-level lasers, we have theoretically investigated the effect of photon lifetime on the output dynamics of Er-doped distributed feedback fibre lasers. And based on the theoretical analysis we have proposed a promising method to suppress self-pulsing behaviour in the fibre lasers.