Layered double hydrotalcites pillared by heteropolyoxometates, ZnAl- GeW11Z (Z=Ni2+, Cu2+) and ZnAl-GeW11 have been synthesized by ion exchange. A procedure for intercalating layered double hydroxides is described in this paper, powder X-ray diffraction and IR spectra measurements confirm that for GeW11O39Z (H2O)6- and GeW11O398- intercalation takes place and the gallery heights are of 9.9Å. The new compounds are found to be calalytically efficient for the esterification of acetic acid with n-butanol in liquid-phase.

According to the NMR spectroscopy of fluids saturated in porous rocks, by using different pulse sequences and imaging parameters, high resolution NMR micro-images of lime stone and sand stone samples were obtained. The heterogeneous interconnection structure of the tested sandstone is visualized. The images can provide detailed discription of the distribution of the internal porosity of the rock samples.

The molecular recognition abilities of β-naphthoated β-CD derivatives as the host compounds were studied: 3-o-β-Naphthoyl-β-CD has a largely improved association constant with cyclohexanol than the corresponding 6-position substituted β-CD derivative has. On the other hand, the polarisablity and the sturcture of the gueset molecule are also important factors which affect the association constant. Cyclohexane may form the 1:2 type inclusion compound with the host compound in this report.

A series of 19 steroids of pyrazione and 37 steroids of inotropic compounds has been studied using CoMFA method. Three-dimension quantitative structure-activity relation is obtained to predict the activity of unknown compounds.

By using ab initio and analytic energy gradients method, 43 optimized electronic states in 11 geometric configurations of AlCn and AlCn+ n=1~3 series are obtained at UHF (RHF)/3-21G level, their singles and doubles CI (CISD) energies are also obtained. 26 optimized electronic states in 7 geometric configurations of AlC4 and AlC4+ are obtained at UHF (RHF)/3-21G. In the point of energy, among those 69 configurations studied of AlCn and AlCn+ series, the most stable are of linear structures, and all the Al atoms are in the terminal. For AlC, AlC+, AlC2, AlC2+, AlC3, AlC3+, AlC4 and AlC4+, the most stable structures are AlCC, AlCC+, AlCCC, AlCCC+, AlCCCC and AlCCCC+ respectively. These results are consistent with theoretical and experimental results reported in references. In addition, harmonic vibrational analysises are performed on the most stable states of AlCn and AlCn+ n=1~4 series, namely AlC, AlCC, AlCCC, AlCCCC, AlC+, AlCC+, AlCCC+, AlCCCC+ by numerical method. Their fragmentation chanels, fragmentation energies and average binding energies are also investigated.

Water-soluble fine KCl particle was prepared by replacing component water with 24.0% KCl aqueous solution in the Triton X-100/C10H21OH/H2O lamellar liquid crystal. The preparation was based on the penetration of solvent in the lamellar liquid crystal and the limitation of the change of thickness of solvation layer in the lamellar liquid crystal. The size of water-soluble fine particle KCl was about 4-6nm.

Adsorption of sodium benzene sulfonate, sodium benzene sulfinate and saccharin and their effects on the electrochemical activities, grain sizes, textures and microhardness of Ni deposits were studied by means of electrochemical methods and X-ray diffraction. The results show that, the Ni deposits obtained from bath containing sodium benzene sulfinate or saccharin behave with higher electrochemical activities and microhardnesses and much smaller grain sizes than that from the bath without additive; and the texture coefficient of (111) face is obviously increased, whereas that of (200) face is decreased; but sodium benzene sulfinate has not any effect on the activity and texture of Ni deposit. The effects of the above activities have been discussed.

Electron-doped T’-R2CuO4 type superconductors have been studied by X-ray diffraction, neutron diffraction, Raman, XPS, FT-IR, XAS, inelastic neutron sacttering, AC and DC magnetic measurement, resistivity measurement, specific heat and TEP measurement. A model was proposed from these experements. When R3+ was substituted with Ce4+ in the parent insulator R2CuO4, a part of doped electrons entered into CuO2 plane, but the other part was localized in the vicinity of Nd (Ce) ions. AFM ordering temperature of Cu disappeares as the dopant concentration approaches that required for superconductivity (Ce=0.15). After annealing treatment in N2 atmosphere, the localized electrons in the vicinity of Nd (Ce) ions transfered to the CuO2 plane and became free elections, the concentration of charge carriers was large enough to create SC. Some questions are still not clear at the present. It is necessary to perform more experements.

Metal oxides are useful catalytic materials but are not well understood due to a scarcity of fundamental studies. They are rarely available as single crystals and their insulator nature causes charging problems when electrons or ions are probes. We report the use of a technique to overcome these problems by anepitaxial growth onto a dissimilar metal to study the solid add niobium oxide. The model niobium oxide grew epitaxially on a single crystal Pt(111) substrate. The growth mode of the niobium oxide overlayers indicates that the overlayer grows as a 2D monolayer on the Pt substrate followed by the development of a high density of small 3D crystallites. LEED patterns from the niobium oxide overlayer indicate that the small crystallites of niobium oxide grew with the (111) structure of the Pt(111) substrate. The valence states of Nb of our model niobium oxide were determined from AES and ILS (ionization loss spectroscopy, which gives information similar to XPS) chemical shifts. Nb oxide overlayers could segregate into bulk Pt and decompose at high tempetature. This Nb oxide overlayers will be used as a model Nb oxide catalyst.

The transfer of bis-1:11 molybdosilicate heteropolyanion with dysprosium across the water/nitrobenzene interface has been investigated by chronopotentiometry with linear current scanning and cyclic voltammetry. The standard transfer potential and Gibbs energy estimated from cyclic voltammetry were 0.102V and -39.5kJ.mol-1, respectively. The kinetic parameters of the transfer were determinated by chronopotentiometry with linear current scanning.

In this paper, we analyse the classifications of critical points on PES with differential dynamics methods, point out that there are only three types of critical points: attracors, repelants and saddle points; and obtain the conditions of PES topological structures losing their stability (TSLS). Finally, we obtain the conditions of TSLS and bifurcations of reactive paths on A+B2 reactive potential energy surface.

The structures of silicalite-1 and H、 Na form of ZSM-5 with various SiO2/Al2O3 ratios were characterized by powder XRD, 29Si MAS NMR, and the desorption process of р-xylene (p-x) on the zeolites was investigated by using TG/DTG/DTA. SiOH defects of ZSM-5 have no relation with the content of structural Al. Silicalite-1 possesses perfect framework structure without SiOH defects and structural Al. On a curve of TG/DTG/DTA, p-x adsorbed by silicalite completely desorbs in the range of 57-174℃ by two steps, accompanied with endothermal effect. While on the TG/DTG/DTA curves of H, Na-ZSM-5, there is a third adsorption step of p-x in the range of 180-600℃ with exothermic effect. Below 180℃ the number of desorbed p-x molecules is related to pore space, but over 180℃, it is related to SiOH and positive ion linking with the structural Al.

The influences of Ag+, Hg2+ and Tl3+ on the B-Z reaction were studied preliminarily. The limit cycles of the oscillating systems in pvesence of bromide removing ions were observed. The mechanism of the unusual oscillation was analysed simply.

The XRD patterns of {Co(OH)2Co(NH3)4]3}(So4)3﹒9H2O has been indexed. The unit cell parametes of the crystal was determined. The crystal is hexa nal with a=b=1.168nm, c=1.501nm, V=1.772nm3, Z=2, Dc=1.860g.cm-3. Also, the thermal decomposition of the crystal was studied by DTA, TG, XRD, IR and chemical analysis.

Structure of 19 cluster cations for AgPn+ and AumPn+ generated by laser plasma reactions have been designed according to chemical bond and calculated using DV-Xα method of quantum chemistry. The results show that P atoms always tend to form P4 fragInnt, then combine with Au atoms. The ability of Au atoms to form cluster is stronger than Ag atoms. It combines with P4 fragment after forming chain or cluster of Au atoms. In many-nuclear system the 5d2, 6s1 hybrid orbitals of Au atoms overlap to form cluster skeleton orbitals with each other, there are a lot of metallic nonbonding orbitals.

Based on the experimental results of electron momentum spectroscopy of helium, the test of three wavefunctions for the ground state of helium has been performed. The conclusion is that electron momentum spectroscopy is an useful tool for testing electron wavefunctions of atoms and molecules.

The surface photovoltage spectra (SPS) of a series of samples BixPMo12Oy(x=2 ~ 9, y=43 ~ 64) were measured. It was found that with the increase of Bi/P molar ratio, SPS exhibits regular evolutions characteristic of modulated surface band bendings. Another experiment using the samples as catalysts in selective oxidation of propane showed that the Bi/P molar ratio influences the basic capacity of vacancies in the scheelite-type structure; and thus it influences the surface band bending. A simple model was presented to account for the effect of band bending on photovoltages due to bandgap and sub-bandgap illumination.

The influence of Clˉ concentration and acidity to the polarization curves of iron electrode is measured. The kinetic parameters of the anodic and cathodic process of iron electrode is obtained. And the corresponding reaction mechanisms is suggested. The theoretical values of corrosion parameters are in agreement with the experimental values.

The catalytic activities of Ni-5 and Ni-5-RM catalysts for reducing CO2 with CH4 or natural gas to produce synthesis gas have been studied by using a fixed-bed flow apparatus. It is found that the Ni-5RM catalyst not only has higher activity and selectivity due to higher dispersion of nickel, but also has better resistance to carbon deposition. It has been shown that a Ni-5-RM catalyst was not deactivated at all during 240h on a stream with CO2/CH4 ratio of 2.4:1 at 750℃ or 1.4:1 at 850℃. For the reduction of CO2 with natural gas, an important question is how to prevent the reaction system from carbon deposition. The experimental results indicate that addition of carboneliminator A into the raw material gases not only prevent carbon deposition, but also has no influence on the activity and selectivity. By adding carboneliminator A to a mixture of natural gas (containing 87% CH4) and CO2 a Ni-5-RM catalyst was not deactivated at all during 300h on a stream with CO2/natural gas ratio of 2.4:1 at 750℃ or 1.4:1 at 850℃. At conditions of 850℃ and CO2/natural gas =1.4:1, the contents of (CO+H2) have been reached to 96% (molar fraction). These results indicate that Ni-5-RM catalyst has a high activity, selectivity and stability for reducing CO2 with natural gas. Experiments magnified 500 times were carried out under the same conditions. The contents of synthesis gas obtained have been kept at 94~96%. These results first established the possibility of industrial utilization of the reduction of CO2 with natural gas to produce synthesis gas rich in carbon monoxide.