Copper-sulfur cluster ions were produced by laser ablation on solid samples: (1) a mixture of copper and sulfur powder, (2) cuprous sulfide compound, (3)cupric suffide compound, respectively. Two main series of cluster ions were found: (a) [Cu(Cu2S)n]+(n=0-22), (b) [(Cu2S)n]+(n=1-18). The main photodissociation channels of the cluster ions were neutral losses of Cu2S, Cu or CuS. It is obvious that the Cu2S unit plays an important role in the formation and structure of the Cu/S cluster ions, and farthermore, the filled d~(10) shell eletronic configuration of copper element might be critical to the characteristic of the cluster ions.

This note mainly reports a successful preparation of a alumina-pillared layered titanate with a high interlayer spacing through a step-wise exchange process. X-ray diffeaction patterns indicate that the resultant alumina-pillared layered titanate has an interlayer spacing of 1.70 nm, which is 0.17 nm higher than that of previously reported,and has a thermal stability over 500 ℃. The surface area (N2, BET method) of the product is determined to be 72.4 m2·g-1. The N2 adsorption and desorption isotherm of the product demonstrates that the resultant alumina-pillared layered titanate is porous, with both micropores and mesopores.

It is found that the SnO_2 nanometer particle modified by chemical methods on its surface with a layer of steric acid molecules has a significant red shift of optical absorption band edge and clear photoluminescence at room temperature, which is in contrast with that of bulk SnO_2 and naked SnO_2 nanometer particles. It is concluded that these results are related to the dielectric confinement effects on the SnO_2 nanometer particles surfaces.

Acid-base properties of ZrO_2 pretreated at 873 K have been studied in relation to a typical acidic SiO_2-Al_2O_3 and a typical basic M catalysts by exadring the TPD behavior of NH_3, CO_2, pyridine, Et_3N, and phenol. The weakly acidic property of ZrO_2 is evidenced by a much lower desorption temperature of NH_3 in comparison with that of SiO_2-Al_2O_3, and its weakly basic property by a much lower desorption temperature of CO_2 in comparison with that of M . NH_3, pyridine and Et_3N show similar TPD profiles though decomposition of CH_3CN occurs in the TPD process of Et_3N. It is shown by the IR of adsorbed NH_3 that the acid sites on ZrO_2 are Lewis acidic in nature, and some of them can become more acidic in strength at elevated temperature. Three TPD peaks on the TPD profiles of NH_3 and CO_2-peaks. It is concluded from these observations that the strength of the acid and base sites on ZrO_2 are well matched, and that ZrO_2 is a typical acid-base bifunctional catalyst. A discussion on the relation between the adsorbed surface species and the desorption of NH_3 and CO_2 is given based on the IR results of adsorbed NH_3 and CO_2, respectively.
In the TPD profile of phenol, the feature of ZrO_2 is characterized by a relative difficulty for phenol desorption and an easiness for phenol decomposition.

Dual adsorption of NH_3 and CO_2 has been used to study the acid property of ZrO_2 in relation to its base property by TPD and IR spectroscopy. It is found that preadsorbed NH_3 (or CO_2) has no inhibitory but a promotive effect to a postadsorption of CO2 (or NH_3). The increased adsorption of the postadsorbed moecules is most pronounced in the TPD curves at above 510 K. In the IR observation, the dual adsorption effect is characterized by a formation, on one hand, of a monodentate carbonate species which can not be formed in the single adsorption of CO_2, and by a strengthened bonding of NH_3 to surface acid site (Zr~(4+)) on the other hand. These results suggest that there exists not only independently located acid and base sites, responsible for the adsorption of NH_3 and CO_2, but some sites located closely (i.e acid-base pair sites). A surface induced through-bond acid-base interaction seems to be the nature of the dual adsorption effect.

The adsorption and insion of hydrogen atom on Pd(997) step surface was studied by the pair-potential method. Calculated results show that the most stable adsorption state is one of the hydrogen atoms being adsorbed under the step. New vibration modes of the adsorption states were analyzed theoretically. The role of step is that the trapping potential wells are formed for the diffusion of a hydrogen atom on the lower terrace and the reflective potential is set up for that on the upper terrace.

Hydrogenated carbon cluster ions (C_nH~+_m) were produced by direct laser ablation of solid aromatic compounds and studied with a time-of flight mass spectrometer. In the low mass region (n=32-56), the hydrogenated carbon clusters were obtained with both even and odd carbon atom numbers, while in the high mass region (n>100), the hydrogenated ones were obtained with only even carbon atom number as well as the pure carbon clusters. A structuxal model combining aromatic group and fullerene-like cage for the low mass region and a model combining snail and cylinder types for the high mass region have been suggested.

The electronic structures of cluster compounds [M_4S_2](M=Co, Nb) were calculated by using EHMO method. According to the comparision of total energies, orbital levels, charge distributions and Muiliken bond orders before and after including 3d orbitals of sulfur, it was found that 3d orbitals of the quad-bridging sulfer atom in the cluster [M_4S_2]play an boortant role in the formation of stable structural unit.

Electrochemical modification of metal surface is an effective means for anticorrosion brought forward recently. The moamcation of porphyrin on iron was investigated in this work. The modified layer was formed on industrial pure iron surface using cyclic anodic potential sweep method in acetone and water solution containing porphyrin. The modification conditions and effect factors were studied. The modilied layer has od anticorrosion performance especially in hydrochloric acid solution. The moamed film also can be obtained on the pure iron by chemical modification. But its corrosion resistance is worse than the electrochemical modified layer. The surface morphology, composition and structure of modified layer were analysed by reflective infrared spectroscopy, ion microanalysis and SEM. The forming mechanism of modified layer was discussed.

Tetridotoxin(TTX)、Sexitoxin(STX) are important tool-drugs in clarifing the sodium channel structure. The parameters of electronic structure、 molecular geometry and molecular coallguration of TTX、STX. and its derivatives were studied.
It is shown that active guanidinium group and hendketal ring in TTX and two guanidininm grouop in STX form two high polar planar orthoriangle coallguration with a positive net charge carbon centers. Three apices nitrogen or oxygen atoms of triangle posses strong negative charge respectively. Molecular electrostatic potential of some active site of TTX. STX and its derivatives were calculated and electrostatic potential contour maps were obtained. The fitting of TTX and STX molecular structres made by technology of molecular graphics shows very similar electronic and stereo characteristics both in TTX and STX. The acting mechanism and relationship between the molecular configurations and the toxicities of TTX, STX. and its derivatives were discuseed.

In this paper, laser induced coordinative reactions between C_(60) and M(CO)_6 (M=Cr, Mo and W) are carried out and complexes (η~2-C_(60)) M(CO)_5 are formed. The dymamics of reaction are also tentatively discussed.

The phase transitions of 2-methoxycinnamic acid, 3-methoxycinnamic acid, 4-methoxycinnamic acid and 4-hydroxy-3-methoxycinnamic acid were studied by DSC. The thermodynamic parameters of phase transitions for these compounds are reported in this paper. In addition, the ~1H-NMR spectra of compounds 2-methoxycinnamic acid, 3-methoxycinnamic acid and 4-methoxycinnamic acid have been measured, and the change of β-H chemical shifts is consitent with that of DSC data fOr these compounds.

Based on neighbouring group participation, we have proposed a bi-bridge reaction mechanism, i.e. in the path of the reaction, there is a bi-bridged structure with two bridging atoms across a single carbonus-cacbon bond. We have studied it by ab initio molecular orbital calculation. And all the geometries of the bi-bridge structines studied by us are transition states of the bi-bridge reaction. The theoretical data of structures, energies, and charge distribution give od information about such kind of reactions.

The zeta-potential of montmorillonite-water colloid systems of different districts and distinct types are different. In this study the zeta-potentials were determined for montmorillonitewater colloid system of different districts and types. The relationship of octahedral(Fe~(3+)+Mg~(2+)) and the cell parameter b0 dimension of montmorillonites with the zeta-potential of montmo rillonite-water colloid systems were discussed.

It is well known that γ-Fe_2O_3 is a very active and selective catalyst for okidative dehydrogenation ofbutene to butadiene. It is hard, however, to distingulsh between ferrite spinels and therefore to identify its existence in ferrite-ferric oxide catalysts using XRD. On the IR spectra γ-Fe_2O_3 has characteristic bands in the range of 600~800 cm~(-1), which do not exist for α-Fe_2O_3, Fe3O4, ZnFe_2O_4 and MgFe_2O_4. But these bands are too weak to deterAnne for the small amount of γ-Fe_2O_3, e g. less than 30% (mass fraction), in catalysts.
Usually using second derivative IR spectra can increase the analytical sensitivity substantially. The mechanical mixtures of γ-Fe_2O_3 and MgFe_2O_4 in different ratio were prepared and their second derivative IR spectra were taken. It was found that the bands 730 and 695 cm~(-1) were characteristic of γ-Fe_2O_3 and their intensities increased with the content of γ-Fe_2O_3 in the mixtures. A staight line with R=0.994 can describe the relation between γ-Fe_2O_3 content and the peak area of band 695 cm~(-1). The lowest detectable content of γ-Fe_2O_3 is about 1% (mass fraction). The existence of γ-Fe_2O_3 in the used B-02 comercial catalyst was identified by this method.

This paper presents the study of the adsorption capacity of some anions on RuO_2·TiO_2 by surface enhanced Raman scattering (SERS). We deposit silver on the surface of RuO_2·TiO_2 to obtain a SERS-active surface. Experimnent indicates that the adsorption capacity is in the following sequence: Cl~->OH~->PO~(3-)_4>SO~(2-)_4>NO~-_3. This paper also gives a discussion of the adsorption pattern of probe molecule on RuO_2·TiO_2/Ag.

Atomic force microscope(AFM) can be used to investigate the surface structuxes of different kinds materials, and N-(4-nitrophenyl)-(L)-prolinol (NPP), as an organic second-order nonlinear optical crystal, has very large nonlinear efficiency. With our homemade AFM instrument, the topographic images of NPP surface have been obtained, The NPP crystal was grown in acetone by solvent evaporation. The AFM results indicates that the surface structure of NPP (001) surface is in well agreement with the bulk structure determined by X-ray diffraction experiments without any reconstruction.

The results obtained from the measurements of cotmterion association degree using ion selective electrode with improved experiment techinique and equation for CTMAB micelle system are in accordance with that calculated by electrochemical theory of micelle. The study also show that the externally added KBr concentration have no effects on the counterion association degree of thecelle and KBr are unnecessary for the determination of counterion association degree in the CTMAB concentration rannge of C_t<4CMC. Addition of hexanol decreases counterion association degree in CTMAB micelle systems.

HeI ultraviolet photoelectron spectra of some thienyl polyethylenic dimethyl malonates compoundsf(1), (2), (3)(to see Fig.1) have been given in this paper. The assignment of the spectra are also done using the optimized MNDO molecular orbital calculation for each studied molecules. It is shown that the linear reduction of HOMO ionization energy (I_p) which is mainly antiboding in character of ethylenic group with the increment of ethylenic group number is fortunately the basis of the homolo us lineax rule of this series of compounds. And it is also pointed out that weight of two —COOCH_3 groups in the HOMO orbital is very small, that is to say, they can not be differentiated as the terminal or substituent.

1:12 phosphomolybdic anion doped polypyrrole film electrode was characterized by in-situ UV-vis spectroelectrocheforstry, X-ray photoelectron spectroscopy(XPS), scan electronic microscopy(SEM) and electron spin resonance(ESR) spectroscopy.