Synthesis and molecular structures of di- and trinuclear molybdenum complexes containing pyridine-2-thiolato (pyS) ligand

Dinuclear complexes [Mo-2(mu-pyS)(2)(CO)(4)(PPh(3))(2)] (1), [Mo-2(mu-pyS)(2)(CO)(5)(PPh(3))] (2) and a trace quality of trinuclear complex [Mo-3(mu-pyS)(2)(mu(3)-pyS)(2)(CO)(6)] (3) were obtained from the reaction of [Mo(CO)(3)(MeCN)(3)] with pyridine-2-thione (pySH) and PPh(3) in THF. The crystal structures of 1.2C(7)H(8) and 3.7 C7H8 have been determined by X-ray diffraction studies. Crystals of 1.2C(7)H(8) are monoclinic, space group C2/c and Z = 4, with a = 18.797(3), b = 11.143(4), c = 28.157(7) Angstrom, beta = 101.23(2)degrees. The structure was refined to R = 0.050 and Rw = 0.057 for 3146 observed reflections, Crystals of 3.7 C7H8 are monoclinic, space group P2(1)/a and Z = 4, with a = 13.912(2), b = 17.161(2), c = 15.577(3) Angstrom, beta = 101.17(1)degrees. The structure was refined to R = 0.046 and Rw = 0.051 for 4357 observed reflections. The molecule of 1 consists of two Mo(CO)(2)(PPh(3)) fragments linked by an Mo-Mo bond (2.974(2)Angstrom) and by two doubly-bridging pyS ligands. The compound 3 contains a bent open geometry of three molybdenum atoms (Mo(1)-Mo(2)-Mo(3) angle 122.99(3)degrees) linked by two Mo-Mo bonds (2.943(1) and 2.950(1) Angstrom) and by two doubly- and two triply-bridging pyS ligands.

A comprehensive investigation of an offshore active fault in the Western Sagami Bay, central Japan

Offshore active faults, especially those in the deep sea, are very difficult to study because of the water and sedimentary cover. To characterize the nature and geometry of offshore active faults, a combination of methods must be employed. Generally, seismic profiling is used to map these faults, but often only fault-related folds rather than fracture planes are imaged. Multi-beam swath bathymetry provides information on the structure and growth history of a fault because movements of an active fault are reflected in the bottom morphology. Submersible and deep-tow surveys allow direct observations of deformations on the seafloor (including fracture zones and microstructures). In the deep sea, linearly aligned cold seep communities provide indirect evidence for active faults and the spatial migration of their activities. The Western Sagami Bay fault (WSBF) in the western Sagami Bay off central Japan is an active fault that has been studied in detail using the above methods. The bottom morphology, fractured breccias directly observed and photographed, seismic profiles, as well as distribution and migration of cold seep communities provide evidence for the nature and geometry of the fault. Focal mechanism solutions of selected earthquakes in the western Sagami Bay during the period from 1900 to 1995 show that the maximum compression trends NW-SE and the minimum stress axis strikes NE-SW, a stress pattern indicating a left-lateral strike-slip fault.

Photodissociation of bromobenzene at 266 nm

The photodissociation of C6H5Br at 266 nm has been investigated on the universal crossed molecular beam machine, and time-of-flight spectra as well as the angular distribution of Br atom have been measured. Photofragment translational energy distribution P(E-t) reveals that about 47% of the available energy is partitioned into translational energy. The anisotropy parameter beta at this wavelength is -0.7+/-0.2. From P(E-t) and beta, we deduce that C6H5Br photodissociation is a fast process and the transition dipole moment is almost perpendicular to the C-Br bond. Ab initio calculations have been performed, and the calculated results show that the geometry of the first excited state of bromobenzene has changed apparently compared with that of the ground state. Two kinds of possible fast dissociation mechanism have also been proposed. (C) 1999 American Institute of Physics. [S0021-9606(99)01206-4].

Electron self-injection and acceleration driven by a tightly focused intense laser beam in an underdense plasma

A scheme for electron self-injection in the laser wakefield acceleration is proposed. In this scheme, the transverse wave breaking of the wakefield and the tightly focused geometry of the laser beam play important roles. A large number of the background electrons are self-injected into the acceleration phase of the wakefield during the defocusing of the tightly focused laser beam as it propagates through an underdense plasma. Particle-in-cell simulations performed using a 2D3V code have shown generation of a collimated electron bunch with a total number of 1.4 x 109 and energies up to 8 MeV. (C) 2005 American Institute of Physics.

周期性极化铌酸锂晶体中半非共线型宽带光学参变放大理论研究

基于周期性极化铌酸锂晶体(PPLN)的准相位匹配光参变放大过程,通过倾斜周期极化铌酸锂晶体中极化域(极化光栅)一定角度,实现了介于共线匹配方式和非共线匹配方式之间的一种半非共线型准相位匹配方式,并以该匹配方式下的各光矢量几何关系得出相位匹配曲线,找到在特定抽运光和信号光波长下能获得宽带增益放大的周期极化长度。并研究其极化倾斜角度与温度特性。模拟计算表明,在合适的角度与温度条件下,该方式可以532 nm抽运光抽运的信号光在800 nm和1064 nm处均获得宽带光参变放大。

环形抛光中工件形状对抛光速度的影响

本文基于库仑摩擦模型，模拟了不同形状的工件在环形抛光的运动。从结果可知，（1）如果工作环处于自由转动状态，工件的角速度在环形抛光中比抛光盘的角速度大；（2）可通过控制工作环的角速度使工件和抛光盘的角速度同步。工作环的角速度依赖于工作环和工件的半径、抛光盘－工件和抛光盘－工作环的摩擦系数，以及抛光盘的角速度；（3）有尖角的工件与工作环的接触处于不连续状态，导致二者的接触状态发生变化和工件角速度的波动。

Micro-mould method for self-assembling three-dimensional opal photonic crystals

By vertical sedimentation, silica micro-spheres were grown in different shapes of concave micro-zones which were etched on a (100) p-silicon substrate. The following were found: this method can effectively raise the quality of films by avoiding cracks; the geometry of the micro-zones affects the sediment of the film; regular hexagons and triangles best facilitate the growth of photonic crystals. This method is practical for its ability to fabricate self-assembly photonic crystals in previously designed small areas.

Wettability designing by ZnO periodical surface textures

A facile and effective aqueous chemical synthesis approach towards well control of periodical ZnO textures in large-scale areas is reported, by which considerable adjusting of surface wettability can be realized. With the assistance of polystyrene spheres monolayer template and morphology control agent, we succeeded in preparing a series of ordered ZnO microbowls with different sag height. It was found that the contact angle could be well adjusted by changing geometry of microbowl. Such novel, ordered arrays are expected to exploit the great potentiality in waterproof or self-cleaning micro/nanodevices, and even microfluidic devices. (C) 2010 Elsevier Inc. All rights reserved.

Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5

Ion - molecule complexes of magnesium cation with ethyl isocyanate were produced in a laser- ablation supersonic expansion nozzle source. Photo- induced reactions in the 1: 1 complexes have been studied in the spectral range of 230 - 410 nm. Photodissociation mass spectrometry revealed the persistent product Mg+ from nonreactive quenching throughout the entire wavelength range. As for the reactive channels, the photoproducts, Mg+OCN and C2H5+, were produced only in the blue absorption band of the complex with low yields. The action spectrum of Mg+(OCNC2H5) consists of two pronounced peaks on the red and blue sides of the Mg+ 3(2)P <-- 3(2)S atomic transition. The ground state geometry of Mg+ - OCNC2H5 was fully optimized at B3LYP/6- 31 - G** level by using GAUSSIAN 98 package. The calculated absorption spectrum of the complex using the optimized structure of its ground state agrees well with the observed action spectrum. Photofragment branching fractions of the products are almost independent of the photolysis photon energy for the 3P(x,y,z) excitations. The very low branching ratio of reactive products to nonreactive fragment suggests that evaporation is the main relaxation pathway in the photo- induced reactions of Mg+ (OCNC2H5). (C) 2003 American Institute of Physics.

16-and 18-electron Cp*Rh complexes with 1,2-dicarba-closo-dodecabofane(12)-1,2-dichalcogenolato ligands, as studied by multinuclear magnetic resonance

The reaction of [Cp*RhCl2](2) 1 with dilithium 1,2-dicarba-closo-dodecaborane(12)-1,2-dithiolate (a) and -diselenolate (b) afforded the 16-electron rhodium(III) half-sandwich complexes Cp*Rh[E2C2(B10H10)] [E=S (3a), Se (3b)]. The 18-electron trimethylphosphane rhodium(III) half-sandwiches Cp*Rh(PMe3)[E2C2(B10H10)] 4a-c were prepared from the reaction of Cp*RhCl2(PMe3) 2 with the same dichalcogenolates, including the ditelluride (c). The complexes 4a,b could also be obtained from the reaction of 3a,b with trimethylphosphane. The molecular geometry of 4b was determined by X-ray structural analysis. The 16-electron complexes 3 an monomeric in solution as shown by multinuclear magnetic resonance (H-1-, B-11-, C-13-, P-31- Se-77-, Rh-103-, Te-125-NMR). also in comparison with the data for the trimethylphosphane analogues 4a-c and for 6a in which the rhodium bears the eta(5)-1,3-C5H3 Bu-t(2) ligand. The Rh-103 nuclear shielding is reduced by 831 ppm (3a) and 1114 ppm (3b) with respect to the 18-electron complexes 4a,b. Similarly, the Se-77 nuclear shielding in 3b is reduced by 676.4 ppm with respect to that in 4b. (C) 1999 Elsevier Science S.A. All rights reserved.

Temperature phase tilt in unstable baroclinic waves

A general property on the phase relation in linear baroclinic instability is proved analytically: in a potential vorticity homogenization regime, the complex geometry of the quasigeostrophic equations determines that the phase lines of temperature and pressure disturbances tilt with height in opposite directions.

喜马拉雅西构造结区岩石圈演化三维有限元动力学数值模拟

The past three decades have seen numerous attempts to numerically model stress and strain patterns in the lithosphere of the Earth on both global and regional scales. This efforts have been indispensable in identifying the features we need to include in our endeavour to develop better models of our planet’s lithosphere and they have also raised our awareness for the many unresolved issue in the deep geodynamical issues that need to be addressed in the future. Nonetheless, in most models, the lithosphere is treated as a single layer with depth-averaged properties, and as the same distribution in the stress and strain fields, and as deforming under plane strain. All these above make a great hander for its reality and degree of recognition. As the beginning in this paper, some principal numerical models and results on the evolution of Tibetan plateau are reviewed and analyzed. Then, the geological and geophysical expedition on the Western Himalayan Syntaxis is briefly reviewed. Furthermore, we analysis the feature in deep geophysical field studies in this area and adjacent regions. Because, for most continents, stress models driven by plate boundary forces have successfully reproduced the main characteristics of the stress and strain field, we present a set of three-dimensional models of lithosphere system for a simplified geometry of the Western Himalayan Syntaxis area and its adjacent regions, where we try to match the first-order characteristics of the stress and strain fields of lithosphere since 10 Ma, and deformation and geodynamical evolution process in former 2Ma. Of course, the kinematic boundary conditions of the stress models driven by plate boundary forces were applied. The rheology plays a significant role in the lithospheric tectonics, which lead to different rheological parameters were used in different works although the have the same constitutive equations in models. So, in this paper we do not aim to produce all characteristics of the Western Himalayan Syntaxis areas’ stress and strain fields by the choices of various parameters, but rather the dynamic response between various rheological parameters and stress and strain fields. We have chosen to concentrate on the importance of rheology and lateral strength variations for lithospheric stress and strain patterns and use our findings to build a model of the Western Himalayan Syntaxis areas. In doing so, we want to go beyond purely elastic models or purely viscoelastic models. Compared the results of the crust viscosity in the Western Himalayan Syntaxis areas, we believed that, when various viscoelastic models are adopted, the selection of the coefficient of viscosity in the Western Syntaxis area has important influence on the its uplifts and evolutions. A wider uplift ranges and gently elevation was observed at the same time when a lower viscosity was used in our models, and vice versa. Data of stress magnitudes are not available, but it is clear that the stress levels must be at or below the failure threshold of rock under compression. Under these criteria, the calculation results show that the viscosity in the Western Syntaxis area should be smaller than 1023Pa.s When elastic model is adopted in relatively rigid Tarim basin, obvious changes are induced to the stress and strain fields of the whole Western Syntaxis area. We found that rigid block of lithosphere reduced stress levels within its interior and that, at the edges of such regions, stress orientation can change. Furthermore there is no evidence that such rigid regions act as stress barriers in that they shield areas in opposite sides of the structure from the influence of one another. In our models, the upper crustal material of the Western Syntaxis area does not turns to move westward. Whereas, because of the stress and strain fields have been decoupling at the interior of the lithosphere, we can get the results that the deep material must not move westward.

中强地震震源的破裂过程

With the large developments of the seismic sources theory, computing technologies and survey instruments, we can model and rebuild the rupture process of earthquakes more realistically. On which earthquake sources' properties and tectonic activities law are realized more clearly. The researches in this domain have been done in this paper as follows. Based on the generalized ray method, expressions for displacement on the surface of a half-space due to an arbitrary oriented shear and tensile dislocation are also obtained. Kinematically, fault-normal motion is equivalent to tensile faulting. There is some evidence that such motion occurs in many earthquakes. The expressions for static displacements on the surface of a layered half-space due to static point moment tensor source are given in terms of the generalized reflection and transmission coefficient matrix method. The validity and precision of the new method is illustrated by comparing the consistency of our results with the analytical solution given by Okada's code employing same point source and homogenous half-space model. The computed vertical ground displacement using the moment tensor solution of the Lanchang_Gengma earthquake displays considerable difference with that of a double couple component .The effect of a soft layer at the top of the homogenous half-space on a shallow normal-faulting earthquake is also analyzed. Our results show that more seismic information would be obtained utilizing seismic moment tensor source and layered half-space model. The rupture process of 1999 Chi-Chi, Taiwan, earthquake investigated by using co-seismic surface displacement GPS observations and far field P-wave records. In according to the tectonic analysis and distributions of aftershock, we introduce a three-segment bending fault planes into our model. Both elastic half-space models and layered-earth models to invert the distribution of co-seismic slip along the Chi-Chi earthquake rupture. The results indicate that the shear slip model can not fit horizontal and vertical co-seismic displacements together, unless we add the fault-normal motion (tensile component) in inversions. And then, the Chi Chi earthquake rupture process was obtained by inversion using the seismograms and GPS observations. Fault normal motions determined by inversion, concentrate on the shallow northern bending fault from Fengyuan to Shuangji where the surface earthquake ruptures reveal more complexity and the developed flexural slip folding structures than the other portions of the rupture zone For understanding the perturbation of surface displacements caused by near-surface complex structures, We have taken a numeric test to synthesize and inverse the surface displacements for a pop-up structure that is composed of a main thrust and a back thrust. Our result indicates that the pop-up structure, the typical shallow complex rupture that occurred in the northern bending fault zone form Fengyuan to Shuangji, can be modeled better by a thrust fault added negative tensile component than by a simple thrust fault. We interpret the negative tensile distributions, that concentrate on the shallow northern bending fault from Fengyuan to Shuangji, as a the synthetic effect including the complexities of property and geometry of rupture. The earthquake rupture process also reveal the more spatial and temporal complexities form Fenyuan to SHuangji. According to the three-components teleseismic records, the S-wave velocity structure beneath the 59 teleseismic stations of Taiwan obtained by using the transform function method and the SA techniques. The integrated results, the 3D crustal structure of Taiwan reveal that the thickest part of crustal local in the western Central Range. This conclusion is consistent with the result form the Bouguer gravity anomaly. The orogenic evolution of Taiwan is young period, and the developing foot of Central Range dose not in static balancing. The crustal of Taiwan stays in the course of dynamic equilibrium. The rupture process of 2003)2,24,Jiashi, Xinjiang earthquake was estimated by the finite fault model using far field broadband P wave records of CDSN and IRIS. The results indicate that the earthquake focal is north dip trust fault including some left-lateral strike slip. The focal mechanism of this earthquake is different form that of earthquakes occurred in 1997 and 1998, but similar to that of 1996, Artux, Xinjiang earthquake. We interpreted that the earthquake caused trust fault due to the Tarim basin pushing northward and orogeny of Tianshan mountain. In the end, give a brief of future research subject: Building the Real Time Distribute System for rupture process of Large Earthquakes Based on Internet.