In this paper, the molecular structure and chemical bonding of lanthanum monocarboxide have been studied with the density functional theory method. It is found that lanthanum monocarboxide can exist in two structures, LaCO and LaOC, that is, there exists linkage isomerism in lanthanum monocarboxide.

The sodium positions in the doped NASICON solid solution Na3Zr2-xYxSi2-xP1+xO12 system were investigated by using 23Na NMR techniques. The results of NMR indicats that the surroundings of the sodium cations in compounds with different compositions are different because the network structures are disordered by replacement of Y3+ for Zr4+ ions in the crystal structure. While the composition x is small, the sodium cations locate at two sites, Na(1) and Na(2) sites, in the structure. With x increasing, the surrounding of the sodium cations change and the position of the sodium cations is of only one kind at x=1.2. These results are important for understanding the crystal rule and the effect of the doped cation in the surroundings of the sodium cations in Na3Zr2-xYxSi2-xP1+xO12 solid state solution system.

Complex periodic oscillations which are associated with Farey sequences and sustained aperiodic oscillations (maybe chemical chaos) have been first observed in Hydrogen Peroxide-Potassium Thiocyanate-Cupric Sulfate System in a CSTR. When pH is high (generally at pH>9), oscillations in pH and Pt potential in solution are synchronous, and pH increases as Pt potential in solution increases; when pH is low (gernerally pH<9),oscillations in pH and Pt potential are antiphase. Birthymicity of two oscillations appears at a same condition. A sample explanation is discussed.

 Conductivity of fourteen LB films of tetrathiafulvalene derivatives was studied. The effects of the content of SA and iodine vapor doping on the conductivity of LB films were explained.

Infrared spectroscopy, XRD and pulse CO2 laser techniques have been employed to investigate the behaviors of laser stimulated surface reaction (LSSR) of ethanol oxidative coupling to 1,4-butanediol upon the surface of Cu2(PO4)(OH) which was prepared by the method of precipitation. A reaction mechanism of laser stimulated ethanol oxidative coupling on this solid surface and a model of energy transfer and relaxation in such a process are proposed on the basis of the experimental results.
In this paper, it has been shown that the LSSR is an excellent reaction technique for ethanol oxidative coupling to 1,4-butanediol. Under the conditions of atmospheric pressure and temperature of 200℃ with 1079cm-1 laser photon exciting the surface of Cu2(PO4)(OH) for 1000 times, the CH3CH2OH conversion is above 12% and the product is solely 1,4-butanediol.

Fluorescence method was used to measure the kinetics of fusion of vesicles, which was formed by triethanolamine dilaurate by means of ultrasoaic dispersion. The method relies upon the dequenching of Cetyl Rhodamine B (CERB) in vesicles. The concentration of CERB was diluted with the fusion, and dimer of CERB was dissociated into the monomer, resulting in the enhancement of fluorescence intensity of CERB. Result indicated that the fusion rate of the vesicles formed by triethanolamine dilaurate closely related to the structure of bilayer and acidity of the media, and when the acidity of the media was in the certain range of pH, the vesicles formed has closer packed structure as well as slower fusion rate.

To investigate the influences of temperature on the quantum correction for heat capacity of liquid water, molecular dynamics simulations for liquid water were performed and the spectra of velocity autocorrelation function for the atoms were calculated under different temperatures. The study shows that the quantum correction for heat capacity for the three intramolecular vibration modes keeps almost unchanged while the corrections for rotation and libration modes decrease as temperature increases. Corrections were made for the classical heat capacities calculated as the fluctuations of the temperature during the molecular dynamics simulations for liquid water. The corrected results agree well to those from experiments.

The stabilization of fifteen nitrogen-centered radicals 4-RC6H4NH and fifteen oxygen-centered radicals 4-RC6H4O (R=-H, -OCH3, -Cl, -F, -CN, -COCH3, -NO2,-CH3, -CF3, -CH3S, -C6H5, -NH2, -BH2, -PH2, -SiH3) have been studied with MNDO method. The substituents of -NH2 , -CH3, -OCH3, -F play a role of stabilization on radical, -CF3, -NO2, -CN, -COCH3, -BH2 play a role of de-stabilization and -SCH3, -PH2,-SiH3, -Cl play a role of weak de-stabilization. Benzyl only play a role of stabilization on oxygen-centered radicals.

 Anodic passive films formed on Fe40Ni40P14B6 amorphous alloy in H3BO3-Na2B4O7(pH=9.20) buffer solution at different potentials or different time have been investigated by XPS and AES (including depth profiling). The thicknesses of the films were closely related to the polarization potentials and passivation time. The passive films are multilayer structure, the outmost layer FeOOH, Ni(OH)2[NiOOH] and a notable phosphate and borate, the inner layer FeOx, NiOx, POx and BOx, then the substrate. The films/substrate interface enriched Ni and P have hinder role from further oxidiation. The thicknesses of the films have been estimated by a relative method, and of passive films formation mechanism is given by explaining the growth of the anodic passive films.

The photoelectrochemical semiconductive films of the n-type TiO2 prepared from tetrabutyl titanate through sol-gel method by dip-coating technique has been investigated. In order to sensitize this kind of uniform transparent TiO2 films, dye modification is one of the effective ways. Three kinds of fluorescein surfactant derivatives containing long hydrocarbon chains were synthesized and could form od quality LB films. The behavior of the monolayer of fluorescein derivatives on subphase, their periodic structure, the absorption spectra and chemically modified electrode of the LB films have been investigated. It was found that the monolayer on air-water interface was stable, and its collapse pressure was up to 50mN•m-1, and the average area occupied by each fluorescein derivative molecules in the monolayer is in od agreement with the theoretical calculation. The monolayer thickness was measured to be 21-24Å by the X-ray diffraction technique. By the absorption spectra and fluorescence spectra, it was proved that the LB films of fluorescein surfactant derivatives were successfully transferred onto the TiO2 film electrode which was prepared with SnO2-coated glass plate by sol-gel method, and were in direct contact with the semiconductor. The photocurrents and quantum yields of both the TiO2 film electrode modified with fluorescein adsorbate and the LB films are greater than that of the bare one around the maximum absorption of dyes(400-500nm). This photosensitization can be explained by a energy model for the electron injjection.

The structures and stabilization of nine nitrogen-centered radicals have been studied with ab initio method at UHF/4-31G level, full optimized. The energies of stabilization of nine radicals NHR (R=CH3, CF3, CCl3, CN, NH2 , CHO, OH, COOH, F) are 25.24, -38.53, -20.59, 21 .46, 19. 96, 58.82, 73.69, 31.75, 63.85kJ•mol-1, respectively, which indicated that except CF3 and CCl3, other seven substituents play a role of stabilization on the nitrogen-centered radical.

2-Methyl-3-acetyl quinoxaline N,N-dioxide (MAQO) is a novel medicine. However it easily under es photoreations such as deoxygenation, cyclization etc., resulting in the change of its pharmaceutical action. The problem about radical intermediates involved in the change process is still not well resolved, and the relevant studies are worthwhile.
In CCl4 and CS2 nonprotonic solvents, MAQO gives identical electron spin resonance (ESR) spectra at g=2.0063 with hyperfine (fh) constant aN=1.03mT under UV-irradiation at room temperature. The photochemical process can be depicted as formula(1).
As soon as the unimolecular nitroxide biradical produces, it rapidly couple into a dimmer biradical, 4.Because the two nitroxyl radical in the dimer are far from each other, no interaction between them is observed. Therefore, it can be recognized as two independent mono-radicals.
In protonic solvent, CHCl3, when MAQO was irradiated with ultraviolet light at room temperature, it gives a ESR signal at g=2.0058 with hyperfine constant aN=0.98mT, aH(5,7)=o.11mT, aH(6.8)=0.36mT. The hf structure from two groups of equivalent ringprotons can be clearly observed. According to formula (1)， the unimolecular nitroxyl biradical formed from a excited intermediate may abstract a H atom from CHCl3 to generate a hydrogenated nitroxyl mono-radical 5, which can elucidate the above ESR spectrum.
The ESR results of MAQO-α-CD, MAQO-β-CD and MAQO parent are similar in protonic solvent. The only difference is that the aH values, hf constant from protons on benzo-ring, decrease while the line widths increase, compared with that of MAQO parent. This result indicates that the benzo-ring, part of MAQO molecules, has been included in CD and CD have a microenvironmental effect on the proton on the ring.
The nitroxyl radicals detected by ESR are very reactive, they will polymerize, deoxygenate, cyclize, etc,. resulting in the deterioration of the medicine.

The positron lifetime technique has been used to study the temperature behavior of micelle in solution of polystyrene-polydimethylsiloxane diblock copolymer in n-heptane. The results indicate that positron annihilation parameters are found to be sensitive to structural and microphase changes taking place in the micellar solutions. The abrupt changes in the o-Ps lifetime and intensity observed at certain temperature appear to be associated with variations in the aggregation state of the copolymer molecules in solutions. Above the critical micelle temperature the o-Ps lifetime increases sharply with increasing temperature. This behavior indicates the process of disintegration of molecular aggregates to free copolymer molecules.

Solid superacid catalyst SO4(2-)-WO3-ZrO2 was characterized by means of XRD,DTA-TG, and surface area measurement techniques. The dependence of the surface area, SO42- content of the catalyst on calcination temperature was measured. It was found that there is a synergy to a certain degree between SO42- and WO3 with respect to the delay of ZrO2 crystallization, the stabilization of the tetra nal ZrO2 and the enlargement of the surface area of the catalyst. The addition of WO3 is beneficial to the stabilization of SO42- and remarkably increases the stability of SO42- at high temperature.

The experiments show that the middle phase microemulsions can form in tetradecane pyridinium bromide/alcohol/n-heptane/brine systems. The phase behaviour was investigated by using concentration scanning and interfacial tension methods. The formation and characteristics of the middle phase microemulsions are affected obviously by the concentrations of TPB from 0.5 % to 6.0 %, the concentrations of n-butanol from 2.0 to 7.0 % and the n-alcohols from C3H7OH to C5H11 OH. The difference between systems with TPB and sodium dodecyl sulfonate (AS) is also discussed. Some rules are worked out.

Six styryl pyrazine compounds, in which some are streically hindered rotation and some are freely rotated, have been sythesized in this work. The effects of temperature and solvent polarity on the photophysics and luminescence behavior of these compounds were studied in detail. Results indicated that blocking of the double bond twist by a sufficiently rigid bridge increases fluorescence quantum yields dramatically and the single bond connecting the double bond twisted is favorable to the formation of T* state （radiation decay）. One of the resons for distytyl pyrazines having higher fluorescence quantum yields may be due to the less probability of transformation from E* state to P* state.

The thermochemical properties of rare earth Invar alloys were inverstigated by using a high temperature calorimeter. The enthalpies were measured in two temperature ranges. 350 ~ 750K for Y2Fe14B, NaFe8.8V3.2, SmFe10V2, YFe10V2 and 550 ~ 950K for La2Fe14B, Ce2Fe14B, Nd2Fe14B, Sm2Fe14B, NdFe12-xVx (x=1.6, 2.0, 2.4, 2.8). The relationships between temperature and enthalpies as well as heat capacities were determined, influence of heat capacity with the Invar properties was analysed.

A new method for the estimation of infinite dilution activity coefficient, the removal test-particle method, is proposed and shown in a more practical way for a real solution. By this method, the limiting value of methanol in aqueous solution at 298.15K has been studied.

Iodine-doped (C22H16N2SO2) was prepared by doping the dye with iodine vapor. The following characteristics were obtained by structure analysis.
1. The doped iodine exists as I3-anion and I2.
2. Because the electron located on the sulphur atom was transferred to iodine, a charge transfer complx of (C22H16N2SO2I5) was formed.
3. The complex was proved to exist in a quasi-one dimension conductor state, forming two ordered molecular stacks.
4. From the volt-ampere curve with sandwich cell, the room temperature resistivity(ρ) and the exciting energe (△E) of the doped complex were shown to be 3.47×107Ω•cm-1 and 0.4eV respectively.
5.Its electrical behavior obeys the fomulaρ=ρoexp(△E/kt),showing the behavior of a typical semiconductor.