A simple method for fabricating SERS-active substrate using Au nanoparticles is reported. HSCH2CH2NH2 was self-assembled on the Au/glass substrate, then nanoparticles of colloidal ld were bound to the surface. The SERS effect of such prepared substrate was studied by using BPE and an azobenzene thiol derivated compound and the SERS enhanced factor was found about 3×103.

The effects of added 1-1 type sodium salts on the aqueous solutions of five nonionic surfactants (i.e. Triton X-100, Triton X-114, Triton X-305, Igepal CO-720 and Igepal CO-890) have been investigated systematically. The effectiveness of monovalent anions in decreasing cloud point of nonionic surfactant solutions varies in the order IO3- >OH- >F- >CH3COO- >BrO3- >Cl- >Br- > ClO3-≥NO3-, while in increasing cloud point of nonionic surfactant solutions varies in the order CNS- >ClO4- >I-. The experimental data indicate that the efficiency in cloud point decreasing or increasing depends primarily on the electrolyte and not the nonionic surfactant. As the cloud point of Triton X-305 and Igepal CO-890 both exceed 100℃, the routine measurement is useless. Two procedures have been proposed to solve the problem by the addition of electrolytes which decreases the cloud point of nonionic surfactant. This leads to the cloud point of 112℃ and 116℃ for Triton X-305 and Igepal CO-890 respectively.

 Surface modification with rare earths was investigated for improving the hydrothermal stability of γ-Al2O3. The rare earths were added by impregnation or kneading method. Among the rare earths, studied lanthanum is the most effective promoter for inhibiting the reduction of surface area of Al2O3 sintered in wet air(14kPa water vapor) at 1273K for 24h, because its cations with valence 3+ and proper ionic radii can insert into the crystal lattice of Al2O3 and prevent the transition of Al2O3 from sintering and transforming to α-Al2O3. The presence of vapor-phase water in sinter tests was found to have a pronounced effect on surface area of Al2O3. The XRD measurements show that the α-phase increases and the crystal sizes become larger as area decreases. The kinetics for sintering of Al2O3 was studied and the constants, n and k, were used to calculate the rate of area loss at given area level.

The surface tension of the aqueous solutions of organic ammonium salts and potasium 3-oxa-perfluorononane-sulfonate (FC-53)has been determined. The effect of organic ammonium salts on the surface activity and solubility of FC-53 has been investigated. It is found that the non-surface active ammonium salts ((CH3)3NHCl, ((C2H5)3NHCl,(HOC2H4)3NHCl,and (C2H5)4NBr) and the surface active ones (n-C4H9)4NBr and n-C8H17N(CH3)3Br) all can enhance the surface activity of FC-53, and the former can make FC-53 more water-soluble whereas the latter can not. The Gibbs adsorption equations for these mixed systems have been derived and the molecular interactions and compositions in the surface layers, especially for the systems containing surface active organic ammonium salts, have been obtained. It is concluded that, owing to the strong attraction (in addition to the hydrophobic interaction) between the two oppositely charged surface active ions, the mixtures with surface active organic ammonium salts are very surface active and the surfactant hydrophobic chains are close-packed with the orientation toward air, and for (n-C4H9)4N+ group, the n-butyl chain is not stretched but has a bending conformation. 

Multiphoton ionization-dissociation process of Methylamine Molecules is studied using Time-Of-Flight mass spectrometer with a pulsed dye laser. Four ion peaks observed under different laser wavelength and laser power are assigned to CH3NH2+、CH2NH2+、 CHNH2+ (CH2NH+) and CHNH+. Based on the experimental results, the Multiphoton lonization and Dissociation(MPID) mechanism of CH3NH2 are discribed:CH3NH2 molecule is ionized to generate CH3NH2+ via 2+2 photon(two photon resonant excitation and two photon ionization)process. CH3NH2+ dissociate to produce CH2NH2+. CHNH2+(CH2NH+) and CHNH+ are generated by the consequent dissociation of CH2NH2+. The experimental results indicate that the dissociation rate constant of CH3NH2+ decreases as laser wavelength increases.

Infrared spectra of benzoic acid in CO2-ethanol and CO2-dimethyl sulfoxide(DMSO) mixed supercritical fluids have been determined at 35.0℃ and 12.6MPa. It was observed that benzoic acid exists in both forms of monomer and dimer in pure supercritical CO2. Benzoic acid begin to form hydrogen-bonded complexes with ethanol and DMSO even their concentrations are very low and the concentration of the monomer of benzoic acid decreases with increasing of ethanol concentration, provided that the total concentration of the acid is fixed.

Ceria promoted Fe/ZrO2 catalysts were prepared by different impregnation methods. The structure, reduction behavior, CO desorption behavior, and catalytic property of various catalysts were studied by XRD, Mossbauer spectroscopy, TPR, XPS, CO-TPD, and CO hydrogenation reaction test. It is shown that the catalytic activity of ceria promoted Fe/ZrO2 catalysts is much higher than that of the unpromoted Fe/Zr sample, while methane formation is suppressed and light olefins selectivity slightly increases. The different catalyst preparation methods affect the structure and reduction behavior of Ce-Fe/ZrO2 catalysts, but do not obviously influence the catalytic properties for CO hydrogenation. The promotion effect of ceria can be explained in terms of the formation of new catalytic active sites (Fe-CeO2 ensembles) at which CO may bond with its carbon atom to iron atom and its oxygen atom to the partially reduced cerium oxide. This results in a wakening of the C-O bond, and the dissociation and reaction of CO is markedly enhanced. 

In this paper, we have calculated analyzed theoretically the absorption spectra, the low-temperature Schottky heat capacity and the paramagnetic susceptibility of Ni2+ ions in Ni(pz)4Cl2 (pz=Pyrazole) complex, by using the complete configuration mixing unified crystal field theory for d8(D4h*), and the theoretical results agree with the experimental data very well. Thus we can give a complete and reasonable theortical interpretation of the optical, thermal and magnetic properties of the Ni2+ ions in Ni(pz)4Cl2 complex.

CO adsorption on Ru(100) and Cs/Ru(10O) surfaces has been investigated using ARUPS, at low temperature 150K. The 5σ+1π and 4σ levels of CO molecule were　found in angle-rcsolved UP spectra showing that CO is in molecular adsorption states on clean and Cs precovercd Ru(1010). The dependence of CO 4σ intensity on incident angle suggests that adsorbed CO stands upright on clean Ru(1010) surface; But adsorbed CO, with a short-range interaction with Cs atom [15], does not stand upright and tilts in <1210> azimuth on a Cs-precovered Ru(1010) surface.

Ab-Initio studies applying the 3-21G, 6-31G and 6-31G** basis sets and also including the MP2 correction were carried out on H2NNH2, HNNH3 and the transition state molecule of the reaction H2NNH2=HNNH3. First, the geometry of the three molecules was optimized using the theoretical methods mentioned in the Hartree-Fock(HF) scheme. The energies of the molecules corresponding to RHF/6-31 G** geometries were subsequently calculated including electron correlation effects at the level of the second-order Moller-Plesset(MP2) perturbation theory. The vibrational frequencies, net charges and dipole moments were obtained from the theoretical calculations. The results of our ab-initio calculations indicate unambiguously that H2NNH2 is thermodynamically more stable than HNNH3. On the other hand, an isolated HNNH3 molecule once created would be rather stable since barriers for its unimolecular isomerization and decomposition are relatively high. Nevertheless, HNNH3 can be considered as an intermediate in chemical processes involving N2H4. This assumption has been supported by further calculation at higher level of theory. 

Excited radicals CN(A, B), CH(A), H(n=3,4,5) were produced in the energy transfer reaction of metastable He(23S)、 Ar(3P0,2) atoms with C2H3CN molecule by using discharge-flowing afterglow technique. The emission spectra of products were analysed, the results showed that vibrational populations of CN (B, v) were irregular in He(23S)+C2H3CN reaction and the mechanism was that two energy levels of CN(B, v=0,14) were coupled by the other two of CN(A, v=10,30). The relative vibrational population of CN (A, B, v), except the energy level of CN (B, v=14), decreased with the increase quantum number v of vibration which was the statistical population. The nascent rotational temperature Tr of the product CH (A, v=0) was 2600K.The formation mechanism of excited products was suggested as
He(23S)+C2H3CN)→CN(A,B)+CH+CH2
                 →CN(A)+CH2+CN
                 →H(n=1,2,3)+C2H2CN
Ar(3P0,2)+C2H3CN→CN(A,B)+C2H3

The p-PYNN and its derivatives have been studied using the UHF INDO method in CASSIAN 94 procedure package. Their magnetism and stability have been discussed considering the related geometries and different substituents. The ferromagnetic transition temperature of their dimers are predicted using the spin-wave method and the relationship between the transition temperature and molecular stacking modes are revealed.

The hydrogen abstraction reacton of F atoms with C2H2 was studied by ab initio methods at UMP2/6-31 G** level with energy gradient technique. The intrinsic reaction coordinate (IRC) of the reaction was traced by numerical method. Along the IRC, the coupling constants between IRC and vibrations ortho nal to it, and the vibrational frequencies were evaluated. The theoretical rate constants were calculated by the conventional transition-state theory and variational transition-state theory with tunneling correction. They were in od agreement with experimental results.

A mathematic model is used to describe the mass transfer of mulfticomponents [O2, H2O(g), N2] in the gas diffusion layer of air electrodes of phosphoric acid fuel cells (PAFC). A program of solving this mathematic model is designed with FORTRAN77. The main factors effecting the efficiency of mass transfer in gas diffusion layer are predicted by means of the numberical analysis of the proposed model. The range of these fartors allowed to change is also determined.

In this paper, the molecular connectivity indices and the electronic charge parameters of forty-eight phenol compounds nave been calculated. and applied for studying the relationship between partition coefficients and structure of phenol compounds. The results demonstrate that the properties of compounds can be described better with selective parameters, and the results obtained by neural network are superior to that by multiplle regression.

Based on the interfacial model of a conduction calorimeter, a characteristic thermogram equation is suggested in this paper. Measurements of only two quantities such as the maximum peak height △m and its time tm, enables us to calculate the peak height at any interval by using this model. Thermograms of alkaline hydrolysis of ethyl propionate and ethyl acetate have been measured at 25℃, respectively. The themographic data calculated by using the characteristic thermogram equation are in reasonable agreement with those read from the thermograms.

The corrosion behaviors of zinc and Zn-In alloy in KOH solution containing polyoxythylene ether are studied by the electrochemical techniques. The experimental results showed that the corrosion of Zn-In alloy was obviously inhibited by the addition of poyoxyethylene ether- The anodic adsorption and desorption of the inhibitor were found from the cyclic polarization curves. There are some unique features on the electrochemical impedance spectra of Zn-In in the alkaline solutions containing the inhibitor. All these experimental phenomena were discussed according to some related theories.

In this paper, it is first confirmed using NMR method, that amino acids have one or more active groups which can react with Br2 in the oscillating reaction of amino acids. They are -NH2、-OH、-SH and heterocyclic group of the amino acids. These active groups constitute the activation centre of the oscillating reaction. An important conclusion is that the activation centre controls the oscillating reaction and the oscllating lifetime.

Superconductor Y-Ba-Cu-O mixed oxides were synthesized and their catalysis in phenol hydroxylation was studied too. Results show that, Y2BaCuO5 has better activity than that of YBa2Cu3O7-x, With the catalysis study of another mixed oxide La2CuO4 a conclusion that AO structure unit is the key for mixed oxides to have high activity in phyenol hydroxylation was drawn. Meanwhile, the effects of reaction temperature, medium and medium (water) pH on phenol hydroxylation catalyzed by Y2BaCuO5 and the stability of the mixed oxides were also studied.

Nanometer aluminum nitride powder with purity higher than 98wt% and diameter in the range of 5-80nm has been obtained by microwave heating using α-Al2O3、Al(OH)3、 colloidal Al(OH)3 as the source for aluminum, and phenolformaldehyde resin, char, nanometer carbon black powder as the source for carbon, respectively. The effect of the type of starting materials and synthesis conditions on the purity and the size of the nanometer AlN powder has been analyzed in this paper.

Based on the method of compound synthesis, a new method of constructing the isothermal section phase diagram of ternary system is presented and the ternary C6H14O6-KCl-H2O system is taken as an example. By determinating the optical rotation of the saturated solution in the equilibrium system, the contents of the other components can be calculated, and then the isothermal section diagram of the ternary system can be constructed. The results shows that the common saturation point is as=58.5%, bs=17.4%, cs=24.1%. The general application of the method is discussed also in this paper.