Synthesis and crystal structure of (1,3-(Bu2C5H3)-Bu-t)(2)Sm(mu-Cl)(2)Li(THF)(2)

Anhydrous SmCl3 reacts with two equal of Li(1-3-(Bu2C5H3)-Bu-t) to give a complex (1,3-(Bu2C5H3)-Bu-t)(2) Sm(mu -Cl)(2)Li(THF)(2) (C34H58Cl2LiO2Sm, M-r = 726.99), monoclinic, space group P2(1)/n, a = 10.615(2), b = 21.037(4), c = 17.166(3) Angstrom, beta = 93.60(3)degrees, V = 3825.7 (13) Angstrom (3), Z = 4, D-c = 1.262 Mg/m(3), mu = 1.699 mm(-1) and F(000) = 1508, final R = 0.0387 and wR = 0.0741 for 5320 observed[I greater than or equal to2 sigma (I)] reflections. The average Sm - C distance is 2.73 Angstrom. Sm - Cl1 and Sm - Cl2 distances are 2.719 (2) and 2. 697 (2) Angstrom, respectively. Two 1, 3-(Bu2C5H3)-Bu-t-ring centroids and two mu (2)-bridging chloride atoms around Sm atom form a distorted tetrahedron.

STRUCTURE OF 1,10-DIAMINODECANE TETRACHLOROZINCATE

[NH3(CH2)10NH3][ZnCl4], M(r) = 381.51, triclinic, P1BAR, a = 7.296 (1), b = 10.110 (3), c = 12.814 (4) angstrom, alpha = 90.84 (2), beta = 101.17 (2), gamma = 92.52 (2)-degrees, V = 926.13 angstrom 3, Z = 2, D(x) = 1.37 Mg m-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 1.925 mm-1, F(000) = 396, T = 298 K, final R = 0.070 for 1237 unique reflections [I > 3-sigma(I)]. The structure is characterized by layers of inorganic ions sandwiched between layers formed by the paraffinic chains.

STRUCTURE OF 1,3-PROPANEDIAMMONIUM TETRACHLOROCOBALTATE(II)

[CoCl4(C3H12N2)], M(r) = 276.87, monoclinic, P2(1)/n, a = 10.703 (2), b = 10.653 (1), c = 10.852 (2) angstrom, beta = 118.46 (1)-degrees, V = 1087.8 angstrom 3, Z = 4, D(x) = 1.69 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 22.60 cm-1, F(000) = 556, T = 298 K, final R = 0.059 for 1068 unique reflections [I > 3-sigma(I)]. The Co(II) ion is coordinated by four Cl atoms in a tetrahedral geometry. The paraffinic chains which bridge the tetrahedra have a nearly planar zigzag configuration.

Wind-vector estimation for RADARSAT-1 SAR images: Validation of wind-direction estimates based upon geometry diversity

In this letter, a new wind-vector algorithm is presented that uses radar backscatter sigma(0) measurements at two adjacent subscenes of RADARSAT-1 synthetic aperture radar (SAR) images, with each subscene having slightly different geometry. Resultant wind vectors are validated using in situ buoy measurements and compared with wind vectors determined from a hybrid wind-retrieval model using wind directions determined by spectral analysis of wind-induced image streaks and observed by colocated QuikSCAT measurements. The hybrid wind-retrieval model consists of CMOD-IFR2 [applicable to C-band vertical-vertical (W) polarization] and a C-band copolarization ratio according to Kirchhoff scattering. The new algorithm displays improved skill in wind-vector estimation for RADARSAT-1 SAR data when compared to conventional wind-retrieval methodology. In addition, unlike conventional methods, the present method is applicable to RADARSAT-1 images both with and without visible streaks. However, this method requires ancillary data such as buoy measurements to resolve the ambiguity in retrieved wind direction.

Theoretical study on adsorption of Na+ and Na+(H2O)(n) (n=1-6) on a clean Si(111) surface

To model the adsorption of Na+ in aqueous solution on the semiconductor surface, the interactions of Na+ and Na+(H2O)(n) (n = 1-6) with a clean Si(111) surface were investigated by using hybrid density functional theory (B3LYP) and Moller-Plesset second-order perturbation (MP2) methods. The Si(111) surface was described with Si8H12, Si16H20, and Si22H21 Cluster models. The effect of the basis set superposition error (BSSE) was taken into account by applying the counterpoise (CP) correction. The calculated results indicated that the interactions between the Na+ cation and the dangling bonds of the Si(111) surface are primarily electrostatic with partial orbital interactions. The magnitude of the binding energies depends weakly on the adsorption sites and the size of the clusters. When water molecules are present, the interaction between the Nal and Si(I 11) surfaces weakens and the binding energy has the tendency to saturate. On a Si22H21 cluster described surface, the optimized Na+-surface distance for Na+(H2O)(5) adsorbed at on-top site is 4.16 angstrom and the CP-corrected binding energy (MP2) is -35.4 kJ/mol, implying a weakly adsorption of hydrated Na+ cation on clean Si(111) surface.

基于人工神经网络的PC钢棒力学性能预报模型

提出一种PC钢棒抗拉强度的人工神经网络模型方法,采用4×9×1的三层前向BP网络结构,模型主要因素为淬火温度、回火温度、含碳量和单位长度质量。经1500余次训练后,误差平方和

释光测年实验室的建立与沉积物释光测年技术研究

The main research projects reported in this paper are the establishment of a luminescence (OSL/TL) dating laboratory in The Institute of Geology and Geophysics, CAS, and studies on OSL dating technique and protocol of sediments from North China. These projects have been suggested in order to fit in with the needs of research developments in environmental changes, in particular the aridity and desertification in North China. A new luminescence dating laboratory in which there are a Rise TL/OSL-DA-15B/C reader with Sr-90 beta source, a set of Little More Tape 9022 alpha and beta irradiators, three set of Daybreak 583 intelligent alpha counters and sample preparation system has been set up in the Institute in June 2001. The courses of the establishment of a new laboratory involved a series of technical works, besides making a suitable choice of the equipment, as follows: installing and testing TL/OSL reader, calibrating the dose rate of the beta and alpha sources in the irradiators with the standard sources, testing and calibrating the count rates of the thick source alpha counting in the alpha counters with a standard sample, and then dating of the know age samples to check and examine the OSL/TL dating system. All data obtained from above calibrations and tests show that the established OSL/TL system, including the used equipment in it, can be used to determine age of the geological and archaeological samples with an error of equivalent dose (De) of less than 5%. The OSL dates of several sediment samples obtained from the system are good agreement with those from the OSL dating laboratory in Hong Kong University and ~(14)C dates within 1 - 2 standard deviations. The studies on OSL dating technique and protocol of sediment samples being in progress involve the De determinations with single aliquot regeneration (SAR) (Murray and Wintle, 2000) of the coarse grain quartz from sand dune samples and comparison of the De determinations obtained from SAR with those measured by using multiple aliquot regeneration of loess fine grains. The preliminary results from these research works are shown as follows. The very low natural equivalent dose (De) of about 0.012 - 0.03 Gy, corresponding age of less than 10 years, for BLSL (blue light stimulated luminescence) of the coarse grain quartz from modern sand dune samples in Horqin sand fields has been determined with both the SAR and multiple aliquot regeneration (MAR) techniques. This imply that the BLSL signal zeroing of the quartz could be reached before burying of the sand in Horqin sand fields. The De values and ages of the coarse grain quartz measured with SAR protocol are in good agreement with those obtained from multiple aliquot technique for the modern sand dune samples, but the errors of De from the MAR is greater than those from the SAR. This may imply that the higher precision of age determination for younger sand dune samples could be achieved with the SAR of coarse grain quartz. The MAR combining with "Australian Slide method" may be a perfect choice for De measurements of loess fine grain samples on the basis of analysis of De values obtained from the SAR and from the MAR. The former can be employed to obtain a reliable age estimate of loess sample as older as approximately SO ka BR There is a great difference between De determinations from the (post-IR) OSL of the SAR (Roberts and Wintle, 2001) and those from independent or expected estimates for the older samples. However, the age estimates obtained from the (post-IR) OSL of the SAR are mostly closed to the independent age determinations for the younger (age less than 10 ka) fine grain samples. It may be suggested that the (post-IR) OSL of the SAR protocol of the fine grain fraction would be a suitable choice to dating of the younger samples, but may be unsuitable for the older samples.