INFRARED SPECTROSCOPIC STUDY OF STRUCTURE TRANSITION IN THE PEROVSKITE-TYPE LAYER COMPOUND: (n-C_9H_(19_NH_3)_2CuCl_4

Infrared spectra of (n-C_9H_(19)NH_3)_2CuCl_4 in three solid phases were investigated. It was found that the phase transition at T_(cl)(25℃) arises from the change of the interaction and packing structure of the chain. The phase transition at T_(c2)(34℃)is related to the change of a partial conformational order-disorder. The GTC or GTG' and small concentration of TG structure near CH_3 group exist in phase Ⅲ (above 38℃).

STUDY ON THE STRUCTURES OF COORDINATION COMPOUNDS OF N-(ortho-METHYL)-AND N-(ortho-METHOXY)-PHENYL IMINODIACETATO-Cu(Ⅱ)

The coordination compounds,{Cu[CH_3C_6H_4N(CH_2COO)_2]}.2H_2O and {Cu[CH_3OC_6H_4N(CH_2COO)_2]}.2H_2O,have been prepared and its crystal struc- tures determined.The final discrepancy factors are R=0.052,R_w=0.061 for (I)and R=0.052,R_w=0.039 for(Ⅱ).The geometry of the coordination poly- hedron with Cu(Ⅱ)is a distorted tetragonal pyramid for(Ⅰ)and an unsym- metrical and extended tetragonal bipyramid for(Ⅱ),respectively.The re- sults of EHMO calculations indicate that the ligand mainly provided the field with very few of its electrons being coordinated to the central atom.

A Single-Crystal Neutron Diffraction Study on Magnetic Structure of the Quasi-One-Dimensional Antiferromagnet SrCo_2V_2O_8

The magnetic structure of the spin-chain antiferromagnet SrCo2 V208 is determined by single-crystal neutron diffraction experiment. The system undergoes a long-range magnetic order below the critical temperature TN=4.96 K. The moment of 2.16#B per Co at 1.6K in the screw chain running along the c axis Mternates in the c axis. The moments of neighboring screw chains are arranged antiferromagnetically along one in-plane axis and ferromagnetieally Monk the other in-plane axis. This magnetic configuration breaks the four-fold symmetry of the tetragonM crystal structure and leads to two equally populated magnetic twins with the antiferromagnetic vector in the a or b axis. The very similar magnetic state to the isostructural BaCo2 V~ 08 warrants SrCo2 V2 08 as another interesting half-integer spin-chain antiferromagnet for investigation on quantum antiferromagnetism.

A STUDY ON THE STRUCTURE AND PROPERTIES OF POLYBUTYLALDEHYDE FORMED IN LOW TEMPERATURE PLASMA

The polybutylaldehyde obtained by plasma polymerization was investigated by means of IR, X-ray diffraction, GC-MS, elementary analysis, TEM, electron diffraction and contact angle measurements etc. The results showed that the polymer formed in plasma is amorphous crosslinked polymer, and its backbone is made of carbon atoms. The surface energy of the polymer film is independent of the polymerization conditions. No addition reaction has taken place in the carbonyl group of butylaldehyde in the plasma condition. The result of the wettability measurements showed that the polymer film is generally hydrophobic and the surface energy of the film is about 41 dyn/cm, in which the dispersion force contribution is the majority. The electron diffraction proved that some crystal substance, even the single crystals were present in the polymer. X-ray diffraction also proved the presence of crystal and showed about 15% crystaUinity fraction.

A STUDY OF THE STRUCTURE AND THE EXPRESSION OF PROTOONCOGENES IN HUMAN PRIMARY GASTRIC CANCER

The allelic distribution of EcoRI and BamHI fragments of ras family genes between the human primary gastric cancer tissues and the corresponding adjacent normal tissues did not show any differences. Three genotypes of BamHI restriction fragments length polymorphism of c-H-ras were revealed. No significant differences in the RFLPs were observed between normal individuals and gastric cancer patients. Four protooncogenes, c-H-ras, N-ras, c-myc and c-fos, were found to be transcriptionally active in the gastric cancer tissues in some cases examined. The comparison of the expression of these oncogenes between the malignant tissues and the corresponding normal tissues showed differential patterns. The expression of c-H-ras at cellular level was detected with in situ hybridization. The enhanced expression of c-H-ras in the gastric cancer cells was demonstrated, but the degree of the expession among the cancer cells was shown to be heterogeneous. In addition, the enhanced expression of c-H-ras was seen in the inflammatory cells.

STUDY ON THE STRUCTURE OF IONIC CONDUCTOR FOR LiH-LiF-P_2O_5 GLASS SYSTEM

The system of LiH-LiF-P_2O_5 ionic conductor glass is prepared in neutral atmosphere and glass -forming region is given. The structure and coor- dination of glass are analyzed by IR spectra. Raman spectra and RDF(r). The result indicates that the (PO_4), (PO_3F) and (LiF_4) tetrahedra are basical structure units of glass network and the coordina- tion number of Li is 4. The coordination number of P is 4. The glass random network structure model is given. The study on structure shows that Li^+, H^- and partial F^- are charge carriers in glass system.

LOCALIZED INDO STUDY OF THE ELECTRONIC STRUCTURE OF Sc(Sc_6Cl_(12)Co)

Spin-unrestricted localized INDO method was used to calculate the electronic structure of rare earth cluster Sc(Sc_6Cl_(12)Co).Based on the analysis of the composition of the molecular orbitals and bond orders,it was pointed out that the interstitial transition metal atom Co in the octahedral Sc skeleton forms strong covalent bond with six Sc atoms and the bonding of Sc- Cl is mainly ionic in character.There are nine valence molecular orbitals in the cluster.

LOCALIZED MOLECULAR ORBITAL STUDY ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS

The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and the rim π-bonds with larger localization form reactive regions for formation of buckminsterfullerene.

Theoretical Study on the Structures, Vibrational Spectra, and the Nature of the Intermediate Hydrogen Bond of Schiff Bases

Semi-empirical method PM3 was used to study the geometry and vibrational spectrum of N-(2-hydroxy-l-naphthyl-methylene)-l-pyrenamine (NPY) with the intermediate hydrogen bond. Results are comparable to experimentations. Based on results of both NPY and its model, N-(2-hydroxy-l-naphthyl-methylene)aniline, it was found that the N-(2-hydroxy-l-naphthyl-methylene) group is principally responsible for the special hydrogen bonding through conjugation effect.

A STUDY OF STRUCTURE TRANSITION OF CHLORIDE LAYER ADSORBED ON Ag(100) ELECTRODES

The behavior of chloride adsorbed on Ag(100) electrode has been studied using chronoamperometric technique, and the structural transition of chloride layer has been confirmed.

STUDY ON THE STRUCTURE, ELECTRICAL PROPERTIES AND CONDUCTION MECHANISM 0F THE MULTICRYSTAL MULTIPHASE MATERIAL Li_2MO_2-xWxO_6

The conductivity of non-crystalline fast ionic conductor for B_2O_3-Li_2O-LiCl-Al_2O_3 system is studiedin this paper. The glass structure of this system is discussed by means of infrared spectrum and X-ray fluorescence analysis, and the effects of LiCl and A1_2O_3 on the conductivity of Li^+ in the system are studied as well. Adding Li_2O to the system gives rise to transfer from [BO_3] triangular units to [BO_4] tetrahedral. When Li_2O content exceeds 30mol%, the main group of the glass is the diborate group with more [BO_4] tetrahedra. The adding of LiCl has no obvious influence on the glass structure, and LiCl is under a state dissociated by network, but with the increase of LiCl, the increase of conductivity is obvious. By adding A1_2O_3, the glass can be formed when the room-temperature is cooling down,the conductivity decreases while the conductive activatory energy increases for the glass. The experiment shows that conductivity in the room-temperature is σ= 6.2×10^(-6)Ω^(-1)cm^(-1), when at 300℃, the σ=6.8×10^(-3)Ω^(-1)cm^(-1). The conductive activatory energy computed is 0.6～1.0eV.

A Study of the Structure and Punctuation of Multi-coordinations

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A STUDY OF PACKING STRUCTURE OF POLY(P-PHENYLENE BENZOBISTHIAZOLE)BY MOLECULAR SIMULATION

Molecular simulation technique was used in an examination of the possibilities of chain packing in the crystalline state for poly(ρ-phenylene benzobisthiazole).It has been found that one reason of hardly forming very ordered crystal of the polymer is the existence of so many stable positions of interchain interaction along chain axis.

Feasibility Study on Welding Structure of the HT-7U Toroidal Field Coil Case

The Toroidal Field (TF) coil case of the HT-7U superconducting tokamak device is made of austenitic stainless steel 316LN and is designed to operate at cryogenic temperature (4 K). 316LN can retain high strength and fracture toughness at 4 K. Feasibility study on technical process of welding has been experimentally considered as a hopeful joint method for suppression of post-welding deformation and reduction of over-heating. Meanwhile the final range of stress intensity and the stress intensity factor (K) for pre-cracks of welding structure have been determined by using J-integral. These related results are optimistic and have shown that there's no problem in strength and fracture toughness at the vicinity of the pre-crack tip. This paper introduces the welding structure of TF coil case in detail.

TRANSMITTED ELECTRON MICROSCOPY STUDY OF ION-CONTAINING BIOMEDICAL SEGMENTED POLYETHERURETHANE FINE STRUCTURES

The microphase separation extent of biomedical segmented polyetherurethanes were greatly enhanced due to the presence of sulfoalkyl pendant groups contained in the hard segments,and the hard segments were more orderly aggregated through ionic interaction.

A study on the numerical prediction method for the vertical thermal structure in the Bohai Sea and the Huanghai Sea-I.One-dimensional numerical prediction model

In this paper, on the basis of the heat conduction equation without consideration of the advection and turbulence effects, one-dimensional model for describing surface sea temperature ( T1), bottom sea temperature ( Tt ) and the thickness of the upper homogeneous layer ( h ) is developed in terms of the dimensionless temperature θT and depth η and self-simulation function θT - f(η) of vertical temperature profile by means of historical temperature data.The results of trial prediction with our one-dimensional model on T, Th, h , the thickness and gradient of thermocline are satisfactory to some extent.

A Comparative Study of Dispersion Characteristics Determination of a Trapezoidally Corrugated Slow Wave Structure Using Different Techniques

The linear dispersion relation of a trapezoidally corrugated slow wave structure （TCSWS） is analyzed and presented. The size parameters of the TCSWS are chosen in such a way that they operate in the x-band frequency range. The dispersion relation is solved by utilizing the Rayleigh-Fourier method by expressing the radial function in terms of the Fourier series. A highly accurate synthetic technique is also applied to determine the complete dispersion characteristics from experimentally measured resonances （cold test）. Periodic structures resonate at specific frequencies when the terminals are shorted numerical calculation, synthetic technique and cold appropriately. The dispersion characteristics obtained from test are compared, and an excellent agreement is achieved.

Electronic Structure and Visible-Light Absorption of Transition Metals(TM=Cr,Mn, Fe, Co) and Zn-Codoped SrTiO_3: a First-Principles Study

First-principles calculations are performed on the influence of transition metal（TM=Cr, Mn, Fe, Co） as codopants on the electronic structure and visible-light absorption of Zn-doped Sr TiO_3. The calculated results show that（Zn,Mn）-codoped Sr TiO_3 requires the smallest formation energy in four codoping systems. The structures of the codoped systems display obvious lattice distortion, inducing a phase transition from cubic to rhombohedral after codoping. Some impurity Cr, Mn and Co 3d states appear below the bottom of conduction band and some Fe 3d states are located above the top of valence band, which leads to a significant narrowing of band gap after transition metal codoping. The enhancement of visible-light absorption are observed in transition metals（TM=Cr, Mn, Fe, Co） and Zn codoped Sr TiO_3 systems. The prediction calculations suggested that the（Zn,Mn）-and（Zn,Co）-codoped SrTiO_3 could be the desirable visible-light photocatalysts.

Ground State Structures of Boron-Rich Rhodium Boride: An Ab Initio Study

A new phase of RhB4is predicted based on first-principles calculations. The new phase belongs to the orthorhombic Pnnm space group, named as o-RhB4, and analysis of the calculated enthalpy shows that o-RhB4belongs to the orthorhombic Pnnm space group. The calculated phonon band structure shows that the orthorhombic Pnnm o-RhB4structure is stable at ambient pressure. We expect that the phase transition can be further confirmed by experiments.

A Study of Plume Rise from Multi-tube Chimney and Types of Chimney Structure

This paper tries to determine the economical type of reinforced concrete chimney structure based on the same effective height of chimney. The simulated experiments of wind tunnel are performed for the study, which compare multi-tube chimney with single tube chimney based on the same buoyancy flux of plume. According to the comparison among the experiment results and the previous study of plume rise, the paper defines some final plume rise models. Finally, the paper gives the cost-benefit analysis after making cost estimation for different types of chimney structure and recommends the economical and reasonable type of chimney structure in light of the same environmental benefits.