HeⅠ photoelectron spectrum of isotopic 18O2 molecules has been firstly recorded on a double-chambers UPS machine Ⅱ which was built specifically to detect transient species. In comparison with UPS results of oxygen molecles 16O2 it is found that the reduction of adiabatic ionization potentials IPs, the decresae of vibrational intervals and the change of intensity of vibrational components on each ionic state of isotopic 18O2 molecules obviously appear on the UPS spectrum.

The thermal decomposition process of iron trisoxalato complex has been investigated by InSitu IR spectroscopy. The Products in gaseous and solid phases were analyzed and verified by gas chromatographic analysis (GC), differential thermal analysis (DTA), thermogravimetric analysis (TGA) and high temperature X-ray powder diffraction (HXRD) as well. The Fast Atom Bombaxdment (FAB) Mass Spectra of title complex were detected.

MINDO/3 MO method has been used to study the thermolysis of RC(X)OC(O)CH3 (X=O or S). The results obtained show that acetic anhydride and thioacetic anhydride decompose into products through three routes, and the activation energies of the routes with the lowest energy barrier are 213.966(X=O) and 178.590(X=S)kJ.mol-1, respectively; the effect of phenyl group on the thermolysis is not important.

 Ligand exchange reactions were studied by VT 13C and 1H NMR for lanthanide complexes with nitrilotriacetate Ln(NTA)2 in neutral aqueous solution in the presence of an excess of ligand (Ln=Ce, Pr and Nd). The intermolecular ligand exchange occurs by the following mechanism
Ln（NTA）23- ×H*NTA2-↔ Ln（*NTA）（NTA）3+ + HNTA2-
The exchange rates were analysed from the line-width values of free NTA and it is found that the activation energy values of the ligand exchange are related to the thermodynamic stability of the corresponding lanthanide complexes with NTA.

 A new kind of modification photocatalyst has been synthesized by coating CoPc on the interface CuxS and CdS. The photocatalytic activity for hydrogen generation from H2S decomposition has been investigated in aqueous suspension. Interaction between CoPc molecule and semiconductor, as well as its influence on photocatalytic ability have also been studied. The results proved that CoPc coating could markedly enhance the photoactivity of the semiconductor for H2S decomposition with the reaction rate of 2-3 time higher. The unlinear photoactivity increase was observed at different CoPc coating concentration. Furthermore, the photoactivity was dependent on the preparation method of catalyst. CoPc dependence appears to be more pronounced if coating CoPc on CuxS surface first. Photoactivity is not proportional to the concentration of the substrate, in the lower concentration range, CoPc coating effect is more pronounced. It was shown that catalyst activity increased markedly if using CoPc DMF solution with 10-5 mol•L-1 Cu2+ion. The reason proposed is that the catalyst absorption has shifted to longer wavelength range with CuPc formed by exchanging of Cu2+ ion and Co2+ ion. The possible mechanism has been also discussed.

Perovskite type oxide has a stable cubic structure. XRD pattern showed that the fundamental structure of SrTiO3 is unchanged by adding various valent elements(V5+,Al3+, Mg2+, Li1+) partially substituting for Ti4+ in SrTiO3. But the widening of XRD line proved that more crystalline imperfections are formed by doping. The lower of the valence and the larger amount of the dopant added, the stronger is the effect resulted. The crystalline imperfection induces the formation of oxygen vacancy Vo whereby the lattice oxygen becomes exchangeable with the oxygen gas at moderate temperature. TPD showed that the amount of labile oxygen at 300~600℃ was closely related to the degree of crystailine imperfection in doped SrTiO3.

A new technique, high resolution quartz capillary column GC/MS/ESR combined with the silanization approach of free radical adduct was successfully used in the analysis and determination of 6 types of PBN spin adducts. Satisfactory mass spectra of spin adducts were obtained. The results show that it is an efficient method for separating and identifying mixed free radicals.

 In this article it is suggested that the Sanderson's equalized electronegativity, Seq, can be used as a new empirical criterion for superconductivity of oxides. The criterion shows that the Seq values are between 1.94 and 2.40 for oxide superconductors with Tc above 10K; the Seq values concentrate in a very narrow range from 2.12 to 2.34 for the high-Tc superconductors with Tc above 78K. This criterion can be applied to almost all the oxide superconductors.

Electrochemical oxidation of formic acid at polyaniline films modified by palladium microparticles (PAN(Pd)) has been studied using electrochemical techniques, XPS and Raman spectroscopy. It has been shown that because of the interaction between Pd and PAN, Pd microparticles can be stablized in the PAN films in the potential region from -0.2V to +0.9V, and the oxidation of formic acid can prevent the degradation of the PAN, resulting in high stability of the PAN(Pd) electrode and its electrocatalytic activity for oxidation of formic acid.

Accurate three-dimensional quantum dynamics calculations of state-to-state reactive probabilities for reaction Cl+H2→HCl+H2 for J=0 are carried out on the SPK potential energy surface based on both of the generalized Newton variational principle (GNVP) and the method of moment for amplitude density (MMAD) over a total reaction energy range from 9 to 16 kcal•mol-1. The results of calculations are compared between variational GNVP and nonvariational MMAD. An additional calculation is performed on total reaction energy at 19 kcal•mol-1. A simple comparison between SPK and GQQ surfaces well as to the result from hyperspherical close-coupling calculations is also presented.

We present a theoretical investigation of the electronic structure of some derivatives of poly-thiophene (PT), mainly poly (3-methylthiophene) (PMT), poly (3-ethylthiophene) (PET), poly(3-methoxythiophene) (PMOT), poly(3-cyanothiophene)(PCNT), poly (3,4-dimethyl thiophene) (PDMT), poly (3,4-dimethoxy thiophene)(PDMOT), poly (3,4-dicyanothiophene) (PDCNT), poly (3-methoxy-4-methylthiophene)(PMOMT), poly (3-methyl-4-cyanothiophene) (PMCNT) and poly (3-methoxy-4-cyanothiophene) (PMOCNT), by using SCF-CNDO/2-CO method. The al is to discuss the influence of these substituents on the band structure of PT.
The calculated results showed that all of the 3-substituted PTs have coplanar configurations while the 3,4-disubstituted PTs will be nonplanar if the two substituents have a large steric hindrance (such as PDMT). From the band structures of these substituted PTs, we t the conclusions as follows:
1. The substitution of H atom by electron-donating or electron-withdrawing groups will make Eg narrower and the Ess of 3,4-disubstituted PTs are even narrower than those of 3-substituted PTs.
2. When the two substituents of the 3,4-disubstituted PTs have a large steric interaction with the S atoms of the neighbouring rings, such as poly (3,4-dimethylthiophene),its energy gap (Eg) will be much wider.
3. As the H atoms of 3 or 3, 4-position of PT are substituted by electron-donating groups, both of the I.P. and E.A. become lower, whereas by electron-withdrawing group, both of them become higher. So it is expected that the electron-donating group substituted PTs are favourable to p-type doping while the electron-withdrawing group substituted PTs to n-type doping.

The reaction of CoTPP (cobalt tetrophenylporphyrin) with various alkyl bromides [CH3CH2Br; CH3(CH2)3Br; CH3(CH2)7Br; CH3(CH2)11Br; CH3(CH2)15Br] were studied by cyclic voltammogram. The reaction of [Co(I )TPP]- with alkyl bromide formed coenzym B12 moddel compound containing a cobalt-carbon bond. The formation rate constants are 2.43; 16.73; 28.30; 35.05; 42.36 mol-1•L•s-1 respectively. The relation between the chain length of alkyl bromide the rate constants and the stability of alkyl cobalt porphyrin negtive ion were discussed.

Using a Nd:YAG pumped pulsed dye laser-wavelength extender as UV light source, the multiphoton ionization of o CS was studied in a supersonic molecular beam with a Time of Flight mass spectrometer and a Magnetic Bottle Time of Flight photoelectron spectrometer. The intermediate resonant states of OCS were obtained from the mass selected MPI spectra by scanning the laser wavelength. From 2+1 MPI photoelectron spectra at different resonant wavelength the vibrational levels of OCS+ ion in electronic ground state X2 H3/2,1/2 were assigned and their X2II spin-orbital splitting was determined to be 0.046eV. The non Franck-Condon behavior between the Rydberg intermediate state and the ionic state has been discussed.

The stability constants of 5-substituted phenanthroline-12-(2'-hydroxy 1-5substituted benzy1)-1,4,7,10-tetraazacyclotr and copper(Ⅱ) ternary mixed ligand complex compounds were determined by pH method at 25.0±0.1 ℃ in the presence of 0.1 mol•dm-3KNO3. The form of coordination macrocyclopolyamine ligandcopper(Ⅱ)-5-substituted phenanthroline in aqueous solution were studied. The formation of d-π back bonding between copper(Ⅱ ) and nitrogen heteronuclear aromatic base has been proved. The tendency of stability of the ternary complexes have been explained by electron effects and d-π back bonding.

 The title compound was obtained by the reaction of Rh4 (CO)12 with P(SC6H5)3. The crystal structure of the compound has been determined by X-ray diffraction. The crystal system is monoclinic, space group P21/a, a=17.390(8), b=8.983(9),c=24.35(2)Å, β =103.84(4); V=3693(5)Å3, Z=8, DC=1.93g.cm-3. R=0.057, RW=0.064, The intramolecular Rh-Rh distances are 3.090 and 3.078Å respectively.

Nanoparticles of CdS in Langmuir-Blodgett (LB) films were synthesized by exposing LB films of cadrium stearate (CdSt2) to H2S. The morphology of particles and the affection of aggregation on the structure of LB films were detected by atomic force microscope (AFM).

The effects of aliphatic alcohol on the twisted intramolecular charge transfer (TICT) of p-N, N-dimethylaminobenzoic acid (DMABOA) in cetyltrimethylammonium bromide (CTMAB) micelle were examined by the TICT-typical dual fluorescence. The introduction of aliphatic alcohol (CnH2n+10H, n=1, 2, 3, 4, 6, 8, 14, 16, 18) to CTMAB micellar solution does not change the positions of the dual fluorescence bands of DMABOA, but results in a decrease in the fluorescence intensities with that of the longer-wavelength TICT band (a band) more repidly, the latter is demonstrated by a linear decrease of the fluorescence intensity ratio of a band to b band (shorter-wavelength normal band) with the concentration of the alcohol added. The logarithm of the absolute value of the linear slope is positively linearly correlated with the carbon number(n) of the alkyl chain in the alcohol molecule when the chain is relatively short (≤8), whereas a negatively linear correlation is observed when the chain length (n=14, 16, 18) is comparable with that of CTMAB. In pure aqueous solution, the intensities and positions of the dual fluorescence bands are not varied by the same concentration of added alcohol. The decrease of the charge density of micellar surface due to the solubilization of alcohol in micelle is considered to be the cause of the alcohol effects on the TICT in charged micelle.