Loading...

Table of Content

    24 January 1991, Volume 12 Issue 1
    Articles
    Synthesis, Crystal Structure and Vibration Spectrum of Molybdosilicic Heteropoly Complex with Dysprosium
    Liu Zhong-xu, Shan Yong-kui, Wang En-bo, Jin Zhong-sheng, Wei Ge-cheng, Liu Yong-sheng
    1991, 12(1):  1-5. 
    Asbtract ( )   PDF (355KB) ( )  
    Related Articles | Metrics
    Molybdosilicic heteropoly complex with dysprosium and its single crystal were prepared. The crystal structure with space group .P21/n was determined by means of X-ray single crystal structure analysis method, the unit cell parameters are as follows: a=17. 256(1)Å, b=26. 817(1)Å, c=21.797(1)Å,β=104. 39(1)°,V=9770. 2Å3. Z=4, F(000)=8140,Dc=2. 94 g/cm3. The results show that the dysprosium atom is coordinated to eight oxygen atoms which are from two tetraden-tate ligands SiMo11O398-. The point-group for its local symmetry is pseudonym D4d(staggered). Potassium atoms are coordinated to six,seven, eight or nine O-atoms. Vibration spectrum of the title complex was also discussed.
    The Synthesis, Crystal Structure and Electronic Configuration of a Complex Mo2Cl6[SC(NH2)2]·2H2O with Triple Mo-Mo Bonds
    Lin Fan, Liu Shi-xiong, Lin Chi-chang
    1991, 12(1):  6-10. 
    Asbtract ( )   PDF (386KB) ( )  
    Related Articles | Metrics
    The complex Mo2C16[SC(NH2)2]·2H2O was synthesized by the redox reaction of Mo≡Mo →Mo≡Mo, and by that of a mononuclear Mo(Ⅲ) complex (NH4)2MoCl3(H2O) with thiourea SC(NH2)2.The crystal of the complexis crystalized in triclinic P1 space group. The parameters of the link cell are a=8. 747(1)Å, 6=9. 224(1) Å. c=13. 733(2)Å,α=103. 35(1)°, β=94. 02(1)°, γ=112. 40(1)°, V=981. 3Å3,Z=2, Dc=2. 359 g·cm-3and the final R=0. 032, R=0. 037. for 4201 reflections with 1≥3σ(1). The coordination geometry of the two Mo(Ⅲ) atoms is a distorted octahedron Cl3MoS3,in which the three Satoms are shared between the two Mo atoms. Of the two crvstallographically independent molecules, the Mo-Mo bond lengths are 2. 439(1)Å,2. 443(1)Å respectively and the S-C distances about 0. 06Å longer than that in thiourea molecule because of the bridge coordination of Satoms and a certain d-π back bonding in the complex. The S-Cbonds weaken the d-p interactions between the Mo atoms and the Satoms, and so strengthen the Mo-Mo bonds. The electronic configuration of d-d molecular orbitals in the complex is σ2(π+ δ)4, indicated by EHMO calculation.
    Preparation and Characterization of Rare Earth Complexes of Schiff Base Derived from o-Vanillin and p-Toluidine
    Liu Guo-fa, Na Chong-wu, Li Bin
    1991, 12(1):  11-12. 
    Asbtract ( )   PDF (164KB) ( )  
    Related Articles | Metrics
    The rare earth complexes of Schiff base derived from o-vanillin (2-hydroxy-3-methoxy-benzaldehyde) and p-toluidine (LnL2Cl· 2H2O)Cl2(Ln: Ce, Pr, Nd, Sm, Eu, Gd, Dy, L. Schiff base) have been prepared and characterized. The complexes consist of a centre rare earth ion, two coordinated Schiff bases, one coordinated chlorine ion, two coordinated water and two non-coordinated chlorine ions. The infrared spectra, molar conductances, and thermal analysis of the complexes were measured. Their stabilities were also discussed.
    The Synthesis and Structure of Pyrazine Bridged Heteronuclear compound[(NH3)5Co(C4H4N2)Ag(H2O)2(C4H4N2)Co(NH3)5](NO3)7·4H2O
    Xu Bing, Chen Dong, Tang Wen-xia, Yu Kai-bei, Zhou Zhong-yuan
    1991, 12(1):  13-15. 
    Asbtract ( )   PDF (219KB) ( )  
    Related Articles | Metrics
    The compound of [(NH3)5Co(C4H4N2)Ag(H2O)2(C4H4N2)Co(NH3)5](NO3)7· 4H2Ois sinthesized, and 1098. Thecompound is crystalized in monoclinic,space group C2/c,with a=9. 431 (2)Å, 6=12. 374(2)Å, c=33. 716(6)Å,β=92. 42(1)Å,V=3922. 6Å, Z=4, μ(MoKa,λ=0. 7.1070A)-18. 4 cm-1, F(000)=2248, T=298K, R=0. 038, Rw=0. 038 for 2272 significant reflections. The silver shows square plane coordination, two water molecules in axial positions, each pyrazine bridge the silver and one cobalt. The cobalts are six coordinated by nitrogens, one from pyrazine and others from NH3groups, forming an octahedral coordination.
    Kalman Filtering Fluorimetry Used for Simultaneous Determination of Aluminum and Gallium
    Li Zhi-liang, Yu Ru-qin
    1991, 12(1):  16-20. 
    Asbtract ( )   PDF (391KB) ( )  
    Related Articles | Metrics
    A new fluorescent reagent, SPAEC, synthesized in our laboratory, has been used for determination of micro gallium and aluminum at optimal pHfrom 3. 8 or 4. 0 to 5. 5 with λexexbeing 515/580 or 535(520)/575 nm, respectively. When the two ions coexist, they will behave as a mutual interference. Kalman filter, an important tool of chemometrics, is a first order recursive optimal filter for estimating true signal in the presence of noise and an effective mathematical algorithm in data-processing of analytical chemistry. Kalman filtering spectrofluorimetry was applied to resolution of the overlapping fluorescence peaks of aluminum and gallium chelating with SPAECat pH 4. 5 through some modes covering: (1) all peak scanning filtering, (2) selective scaning filtering and (3) sim-plized scanning filtering. The developed method was used for analysis of Al/Ga(1: 40-14 : 1) mixtures and considerably improved the selectivity of a high sensitive fluorimetric method showing a good prospect for trace analysis.
    Atomic Absorption Spcctrophotomctric Studies on Rare Earth Elements (Ⅵ)--The Effect of Sulfo-Group in the Molecule of Organic Reagentson flame Atomization Behavior of Ytterbium
    Wu De-huai, Zhou Zhi-ming, Song Xiao-dong, Lu Jin-you
    1991, 12(1):  21-25. 
    Asbtract ( )   PDF (354KB) ( )  
    Related Articles | Metrics
    The sensitivity and selectivity of some elements can be increased by organic reagents in theatomic absorption spectrophotometry. The effect of sulfo-group in the organic molecule of reagents on flame atomization of metal elements has not been reported. In the present paper, the effect of sulfo-group on the atomic absorption spectr9photometric behavior of ytterbium is studied in an air-acetylene flame. The results obtained indicate that there are a marked enhancement effect for organic reagents with sulfo-group in spite of the fact that there is or not bonding atom, and the bonding atom is nitrogen or/and oxygen. The number of sulfo-group affects the degree of sensibilization, and their relative position has not the influence basically. The mechanism of the enhancement effect of sulfo-group is also discussed.
    Studies on the Structure and Property of Organic Reagent (V)--Acid-Base Equilibrium of 5-Br-PADAP and Its Existence Form in Aqueous Solution
    Li Ke-an, Tong Shen-yang, Liu Feng, Li Na
    1991, 12(1):  26-29. 
    Asbtract ( )   PDF (276KB) ( )  
    Related Articles | Metrics
    Acid-base equilibrium of 2-[2-(5-bromo-pyridyl) azo]-5-(diethylamino) phenol (5-Br-PADAP) was studied by spectrophotometry and the dissociation constants of 5-Br-PADAP in 30% (v/ v) ethanol solution were obtained by using least Is Square method according to the datas of Aand pH. pKa1=-0. 12, pKa2=1. 66, pKa3=12. 36. The isomers of 5-Br-PADAP which exists in aqueous solution were determined by quantum chemistry method.
    Fluorimetric Study on the Inclusion Complex Reaction of Cyclodextrin with Phenols
    Li Zhi-liang, Lin Hui-gai, Li Meng-long, Shi Le-ming, Yu Ru-qin
    1991, 12(1):  30-32. 
    Asbtract ( )   PDF (2289KB) ( )  
    Related Articles | Metrics
    Anew fluorimetric method is developed for a study on the reaction of the host-guest inclusion complexes of cyclodextrin with phenols. Dissociation constants(Kd) of the inclusion comlexes of some phenols with β-cyclodextrin are estimated based on the variation of the fluorescent intensity and the modified Harada's equations.
    Studies on Crossed-beam Laser Thermal Lens Spectrophotometry
    Cao Ji-zheng, Deng Yan-zhuo, Luo Qing-yao
    1991, 12(1):  33-35. 
    Asbtract ( )   PDF (238KB) ( )  
    Related Articles | Metrics
    A crossed-beam thermal lens technique, in which the unfocused probe beam crosses the pump beam at a certain angle within a homogeneous sample, was used to study the influences of thermal lens position effect, the size of heating beam focal spot, the modulation frequencies and the crossed angles on the thermal lens signals, and the thermal lens signal profile in the far-field. Under optimum conditions at right-crossed-beam, a PAN-Co(Ⅲ) complex in chloroform was determined, the minimal detectable absorbance is 1. 17× 10-6, corresponding to 1. 7 ng/mL Co2+.
    Determination of Gastrodin with the Method of Chemilumincsccncc
    Pang Zhi-gong, Wang Bao-qi, Liu Wan-jun
    1991, 12(1):  36-38. 
    Asbtract ( )   PDF (230KB) ( )  
    Related Articles | Metrics
    Using Luminol-H2O2-KMnO4as the Luminescent system and H2O2generated from the hydrolysis and enzymatic reaction of gastrodin as the quantitative product, the luminescent intensity was measured. From the intensity of the product H2O2the content of gastrodin has been calculated.
    The Synthesis of 1-Phenyl-3-(3 '-Indolyl)-5-Substituted Phenyl-2-Pyrazolines and Their Substituent Effects in 1HNMR, MS
    Liu Zhi-jie, Zhang Jian-heng, Jiang Lin
    1991, 12(1):  39-43. 
    Asbtract ( )   PDF (366KB) ( )  
    Related Articles | Metrics
    10 new l-phenyl-3-(3'-indolyl)-5-substituted phenyl-2-pyrazolines were synthesized by the reactions of phenylhydrazine with 1-(3'-indolyl)-3-substituted phenyl-2-propen-l-ones. The structures of pyrazolines have been confirmed by their elementary analysis and spectral analysis. Agood linear relationship between σHand σ,(σm)in 1HNMR or the lg(KR/KH) and σ(σ+) in MS was discussed.
    Synthesis and Biological Activity of O-Ethyl-N-Alkylphosphoro(thioureido)thioates
    Yang Hua-zheng, Wu Ye, Zhang Yu-fen, Wang Ling-xiu, Cheng Mu-ru
    1991, 12(1):  44-48. 
    Asbtract ( )   PDF (341KB) ( )  
    Related Articles | Metrics
    Using the addition reaction of O-ethyl-N-alkyl phosphorisothiocyanatidothioates with various amines, a series of new O-ethyl-N-alkyl(thioureido)thioates were synthesized and their structures were confirmed by means of elemental analysis, IR and 1HNMR. Result from the preliminary biological test showed that these compounds have wide-spectrum fungicidal effects and some compounds have herbicidal activities.
    Structure Determination of a Novel Sterol--Clavisterol A
    Su Jing-yu, Zhong Yong-li, Zeng Long-mei
    1991, 12(1):  49-52. 
    Asbtract ( )   PDF (276KB) ( )  
    Related Articles | Metrics
    A novel marine C30-sterol clavisterol Awith an interesting cyclopropane moiety side chain, was isolated from the Chinese soft coral Clavularia viridis collected from Xisha Islands in the South China Sea. The crude methanol-CHCl3(10:1) extract was chromatographed to obtain the crude clavis-terol Afrom the cyclohexane (9%) ethyl acetate eluting portion. Pure clavisterol Ais a needle crystal, m.p. 158-160℃ (from acetone/p. ether), [A]D20-2.5(CHCl3, C, 0.0233), molecular formula C30H50O, (HRMS, M+426. 3862). From the IR, MS, NMR data and comparing the data with those of cholesterol and stoloniferone-d, the structure of clavisterol Awas designed as 1.
    Studies on Homogeneous Catalytic Hydrosilation of Cycloalkanonc
    Sun Jing, Zhou Xiu-zhong
    1991, 12(1):  53-55. 
    Asbtract ( )   PDF (227KB) ( )  
    Related Articles | Metrics
    The dependence of reactivity on ring size in hydrosilation of cycloalkanone with cyclosiliconhydrides catalyzed by (Ph3P)3RhCl was studied by "in situ" FTIR technique.The results show that: 1. The rate constants of model reaction Ⅰ are arranged in decreasing order: k6>k5>k7; 2. The rate constants of model reaction Ⅱ are arranged in decreasing order: k5>k6. The migratory-insertion of silyl group to carbonyl group was proposed as the rate-determining step.
    The Solvent Effect on UV and FL Spectra of Two Oxazole-Oxadiazole Compounds
    Chen Jing-shan, Pan Jia-xing, Kao Chen-heng
    1991, 12(1):  56-58. 
    Asbtract ( )   PDF (192KB) ( )  
    Related Articles | Metrics
    The UV, FLspectra of 1-(5-phenyl-l,3,4-oxadiazolyl-2)-4-(5'-phenyl-l',3'-oxazolyl-2') benzene (PDPOP) and l-(5-phenyl-l,3, 4-oxadiazolyl-2)-4-(2'-phenyl-l', 3'-oxazolyl-5') benzene (PDPO'P) are determined respectively in nine solvents. The solvent effect on UV, FLspectra for both compounds is discussed and compared with that of 1,4-bis(5-phenyl-1,3,4-oxadiazolyl-2)ben-zene(PDPDP).
    Synthesis of Isochroman-4-one and Its Derivatives (Ⅳ)--Preparation of Analogues of Cinchophen
    Wang Jin-jun, Yin Bing-zhu, Jiang Gui-ji
    1991, 12(1):  59-61. 
    Asbtract ( )   PDF (205KB) ( )  
    Related Articles | Metrics
    Isochromano-[4,3-b] quinoline(2) and 9,10-methylenedioxyisochromano-[4,3-b] quino-line (3) are obtained, respectively, by condensing isochromanone (1) with o-aminobenzaldehyde and o-amino piperonal in the presence of sodium ethoxide. The new derivatives of 7-carboxyisochromano [4,3-b] quinoline (4a~e) are obtained by the reaction of (1) with isatins in a satisfactory yield. Es-terification of (4c) can be transformed into (5) which has a new cinchophen-like structure. Compound (4a) and (5) show a good antiphlogistic activity.
    The HOMO-HOMO Interactions in the Additions of HLi and its Dimer to Acetylene
    Chen Bin, Zhao Cheng-da
    1991, 12(1):  62-64. 
    Asbtract ( )   PDF (242KB) ( )  
    Related Articles | Metrics
    The FMOanalysis was performed on the transition states of the additions of HLi and its dimer to acetylene. It reveals their HOMO's to be formed from both HOMQ-LUMO and HOMO-HOMO interactions rather than the simple HOMO-LUMO interaction. The dramatic HOMO-HOMO interaction is associated with the transformation from electrophilic addition to nucleophilic addition of the reaction character. Futhermore, such an interaction is associated with the charge transfer process of the hydrogen atom H(4) of the lithium hydride in the reaction pathway.
    A Study on CT Spectra of Transition Metal Complex
    Huang Xu-ri, Li Bo-fu, Sun Jia-zhong
    1991, 12(1):  65-68. 
    Asbtract ( )   PDF (292KB) ( )  
    Related Articles | Metrics
    Under the ligand field approximation, the Hamilton matrix of FeCl53-(OkSymmetry) and other similar ions can be cut apart with irreducible tensor method. The method is simple in calculating charge transfer (CT) spectra. In calculating, theis used as a base vector, the Coulomb interaction and spin-orbital interaction are considered, the Coulomb interaction between different electron configurations is neglected, and frozen orbital approximation is taken. The calculated results are in agreement with those from experiments.
    The Quantum-Chemical Calculation for Structural Rule of Carborancs
    Li Qian-shu, Tang Ao-qing
    1991, 12(1):  69-71. 
    Asbtract ( )   PDF (229KB) ( )  
    Related Articles | Metrics
    In this paper, various polyhedral skeletons of the carboranes, closo-CnB5-n(n=0-5) and closo-CnB6-n(n=0-6), and nido-CnB5-n(n=0-5) are calculated by using Hoffmann's program of EHMO method, and the background on Quantum chemistry for the structural rule of the carboranes is discussed.
    Studies on Synthesis, Thermal Stability, Reducibility of Heteropolymolybdate with Center Atom P, As
    Wang Guo-jia, Hu Ji, Yang Hong-mao, Wu Tong-hao, Jiang Yu-zi, Zhen Kai-ji
    1991, 12(1):  72-75. 
    Asbtract ( )   PDF (314KB) ( )  
    Related Articles | Metrics
    Four heteropolymolybdates with (XMo12O40)3-anion of different center atom(X=P, As) have been synthesized, among them (NH4)3AsMo12O40and K3AsMo12O40synthesized by improved method. The structure, thermal stability and reducibility of each compound were examined by means of FTIR, XRD, TG-DTA, ESR, TPR, and so on. It is found that thermal stability decreases and reducibility increases when the center atom Pchanges into As.
    A Study of Electronic Spectra of Mo-Fe-S Clusters with Molybdenum of Mix-Valence and Iso-Valence
    Li Zhi-ru, Gao Zhi-ming, Feng Ji-kang
    1991, 12(1):  76-79. 
    Asbtract ( )   PDF (323KB) ( )  
    Related Articles | Metrics
    Wave lengths and transition intensity of electronic spectra of mix-valence molybdenum system [(MoS4)Fe(MoS4O)]3-and iso-valence molybdenum system [Fe(MoS4O)2]3-are obtained by means of CNDO/2-UGCI method: The theoretical results are in agreement with the experiment results of the system. The feature of the spectra is analyzed. The bands are assigned and the nature of their charge transfer is discussed. In addition, the assiging is more convenient from CI and the value of charge of Mo, Fe and Sis more reasonable when d orbital of Sis used in calculation.
    X-ray Photoelcctron Spectroscopy Study on Cobalt-impregnated Zeolites
    Wei Quan, Ying Chun-zhong
    1991, 12(1):  80-83. 
    Asbtract ( )   PDF (319KB) ( )  
    Related Articles | Metrics
    X-ray photoelectron spectroscopy was used to investigate three impregnated zeolites Co/HY, Co/ZSM-5 and Co/HA. It is found that the three zeolites cotain nonreducible CoAl2O4species in the interior of the zeolies, and the reducible cobalt hydrate on the surface of the zeolites. The calcination process can accelerate the formation fo CoAl2O4species. The interaction between Co species and zeolites in the three samples of zeolites was investigated by using the H2reduction experiments. It is shown that the sequence of interaction extent follows. Co/HA > Co/ZSM-5 > Co. HY.
    The Influence of Internal Diffusion of Benzene on the Kinetics of -0. 9th Order over Pt/Al2O3Catalyst
    Jin Yun, Yu Qi-quan, Shi Fa-jun
    1991, 12(1):  84-88. 
    Asbtract ( )   PDF (356KB) ( )  
    Related Articles | Metrics
    The influence of internal diffusion of benzene on the kinetics of complete oxidation of benzene over Pt/Al2O3catalyst has been investigated by the external circulation reactor. The reaction took place in the kinetic region when the catalyst with 0. 45-0. 60 mm was used. The kinetics of complete oxidation of benzene was described by the rate equation of -0. 9th order with respect to benzene under the condition of excess of partial pressure of oxygen in the kinetic region. When the catalyst was increased to φ6 × 5 mm the reaction took place in the internal diffusion region and its reaction order changed to -0. 1st order. The values of effectiveness factors (η) of the catalyst were determined experimentally to be 0. 24 -1. 20. ηexpincreased with the raise of the partial pressure of benzene at a constant temperature, and ηexpdecreased with the raise of temperature at a constant partial pressure of benzene.The activation energy of complete oxidation of benzene is 55. 5 kJ/mol in the kinetic region. When the reaction is controlled by the internal diffusion, the activation energy of reaction is 34. 9 kJ/ mol, and is equal to the arithmetic mean of activation energies of kinetic region and molecular diffusion of benzene approximately.
    Predicting the Henry's Constants of Various Gases in Polar Solvents with the Equation of State
    Chen Ai-fan, Luo Rui-xian
    1991, 12(1):  89-93. 
    Asbtract ( )   PDF (347KB) ( )  
    Related Articles | Metrics
    The Henry's constants for supercritical gases in subcritical polar liquid are calculated with the Cubic Chain-of-Rotators equation of state at different temperatures and pressures. The calculated results are satisfactory. The Analysis and discussion on them are also presented, theoretically.
    The Second Virial Coefficient, the Equilibrium Constant and Enthalpyof Molecular Association of Polar Gases and the Developmentof Their Model Equations
    Tong Jing-shan, Zhang Jian
    1991, 12(1):  94-97. 
    Asbtract ( )   PDF (2324KB) ( )  
    Related Articles | Metrics
    Based on the analysis of the molecular association (dimerization) phenomenon of some polar gases, the equations for calculating the equilibrium constants and heats of dimerization for polar gases are proposed. In addition, the equation for calculating the second virial coefficient of the simply truncated virial equation of state for describnig FVT behavior of gases at low pressure is also modified by introducing the equilibrium constant. The proposed equations were tested, and satisfactory results are obtained.
    A Theoretical Study of Rotationally Inelastic Collisions of Hc-N2
    Xie Dai-qian, Bian Xin-feng, Tang Ao-qing
    1991, 12(1):  98-100. 
    Asbtract ( )   PDF (208KB) ( )  
    Related Articles | Metrics
    The integral and differential cross sections for He-N2were calculated at a collision energy of 27. 3 meV on the BTT potential energy surface by using the coupled channel (CC) method. The study shows that the calculated total differential cross section is similiar to the experimental one of Fnubel et al. and the state-to-state differential cross sections are not in agreement with the experimental results, as predicted by Bowers et al..
    A Stochastic Extension of Macroscopic Stability Criterion of Nonequilibrium Steady States in Chemical Reaction Systems Governed by Master Equation
    Luo Jiu-li
    1991, 12(1):  101-105. 
    Asbtract ( )   PDF (416KB) ( )  
    Related Articles | Metrics
    By means of both the separation of perturbation in accordance with characteristic parameters and the Kramers-Moyal expansion of master equation, it is shown that the time-derivative of the partial excess quantity of stochastic entropy due to the deviation from the most probable path is related to the responsibility of a system to the external macroscopic perturbations. This evolution rate of the partial excess stochastic entropy is equivalent to the partial excess stochastic entropy production, as well as the stochastic excess entropy production rate based on the stochastic potential approach. It appears also as an equivalent quantity of the Gibbs'excess entropy production for the Poisson distribution. The macroscopic stability of chemical reaction systems is dominated by this new stochastic quantity when the local equilibrium thermodynamics is broken down.
    Chemical Trapping and DRFTIR Study of Mechanism of by-ProductsFormation in Selective (Amm) Oxidation of Propyleneon MoO3and γ-Bi2MoO6
    Weng Wei-zheng, Yan Ji-yang, Cai Jun-xiu, Dai Shen-jun, Cao Shiu-jing, Chen Ling-ling, Wan Hui-lin
    1991, 12(1):  106-110. 
    Asbtract ( )   PDF (2434KB) ( )  
    Related Articles | Metrics
    Chemical trapping experiments with H2, NH3, and CH3I as the trapping agents were used for studying the adsorption of propylene over MoO3or r-Bi2MoO6The results show that fragmentation of carbon chain takes place during the adsorption of propylene through breaking C=C double bond and C-Cbond on Mo2+and the adjacent lattice oxygen, leading to formation of the oxygen-or nitrogen-containing by-products of C1and C2species. Diffuse-Reflection Fourier Transform Infrared (DRFTIR) spectroscopy was used to study the surface species formed during the chemisorption and reaction of propylene over r-Bi2MoO6at a lower temperature. The results that C1, C2species were detected by DRFTIR at 175℃ are consistent with the results of chemical trapping experiments, while the results at 50℃ support the mechanism of selective propylene oxidation proposed by Grasselli et al.
    Unitary Group Configuration Interaction Method and its Application
    Gao Zhi-ming, Li Zhi-ru, Feng Ji-kang
    1991, 12(1):  111-113. 
    Asbtract ( )   PDF (224KB) ( )  
    Related Articles | Metrics
    This paper introduced Unitary Group Configuration Interaction (UGCI) method, which was programed by ourselves. At the same time, restricted CNDO program was complied. Then, these two programs were connected together for CNDO-UGCI calculations. Results of calculations illustrate that CNDO-UGCI program is true and UGCImethod is very efficient.
    Electric Discharge of the Gas Mixtures of HCN, H2S, PH3, N2-NH3and CH4-H2O--Simulating Prebiotic Synthesis
    Qi Sheng-chu, Wang Wen-qing, Wang Yong-gang, Wu Ji-lan
    1991, 12(1):  114-116. 
    Asbtract ( )   PDF (342KB) ( )  
    Related Articles | Metrics
    This paper reports the results of the simulating prebiotic syntheses with the HCN-H2O, HCN-CH4-H2O, HCN-H2S-CH4-H2O, CH4-N2-NH3-H2Oand CH,-N2-NH3-PH3-H2O gas mixtures. The fact which HCN can go back to atmosphere from water bodies has been further confirmed. The experimental results show that HCN is an important intermediate to synthesize biomolecules and that methane is responsible for the formation of the various skeletons of amino acids. The catalytic behaviour of hydrogen sulphide and phosphine on the prebiotic synthesis has been found.
    The Study of Elimination Oxygen in New Low Pressure H2-Ni Storage Battery
    Yan De-yi, Zhou Zuo-xiang, Song De-ying, Wang Gen-shi
    1991, 12(1):  117-119. 
    Asbtract ( )   PDF (217KB) ( )  
    Related Articles | Metrics
    The elimination oxygen in new low pressure H2-Ni storage battery was studied. The resis-tant-superchage in the battery using TiNi as cathode was solved effectually. The catalysis mechanism of TiNi by which hydrogen atom with oxygen molecule reacted and produced water was discussed.
    A Study of Preliminary Reaction Kinetics of Formation of PU/PMMAIPN by FTIR Spectrometry
    Wang Jing-yuan, Mao Kun-yuan, Li Yu-wei, Tang Xin-yi
    1991, 12(1):  120-123. 
    Asbtract ( )   PDF (423KB) ( )  
    Related Articles | Metrics
    Fourier transform infrared spectrograph was used to study the preliminary reaction kinetics of formation of PU/PMMA IPN. The reaction extent and kinetic constant were calculated by peak-area ratio method. It is found that the increase of the PMMA content accelerates the polymerization of PUdue to the "solvent effect" of PMMA, on the other hand, the increase of the PUcontent retards the polymerization of PMMA due to "cage effect" of PU. The polymerization of both PUand PMMA is the first order reaction. The non-simultaneous kinetics makes the compatibility worse and raising the reaction temperature and increasing the amount of the initiator are favourable to the simultaneous reaction.
    The Theoretical Analysis of Polycondensation Reaction for Hexanedioic Acid-Trimethylol Propane
    Li Ze-sheng, Ba Xin-wu, Sun Jia-zhong, Tang Xin-yi, Tang Ao-qing
    1991, 12(1):  124-126. 
    Asbtract ( )   PDF (237KB) ( )  
    Related Articles | Metrics
    By means of the theory of polycondensation reaction of Aa-Bbtype involving intra-molecular cyclization proposed by Tang Au-chin et al, the poiycondensation reaction of hexanedioic acid-trimethylol propane with stoichiometric ratio 1. 3 is analyzed. The theoretical sol-gel distribution curve is in accordance with the experimental results. Furthermore, the contribution of intramolecular cyclization to the gel point is estimated. For post-gel, the number-, weight-and Z-average molecular weights are evaluated.
    Specific Interactions in a Variety of Multicomponent Polymers
    Jiang Ming
    1991, 12(1):  127-132. 
    Asbtract ( )   PDF (731KB) ( )  
    Related Articles | Metrics
    For a variety of multicomponent polymers including simple blends, block copolymers, IPNs,block copolymer/homopolymer blends and composites composed of inorganic particles and polymer matrix, the current situation and trend of introducing specific interactions and the effect of the interactions on the miscibility and properties of the systems are reviewed based on the recent results obtained in the author's laboratory.
    Recent Progress in the Studies of Ceric Ion Redox Initiation Systems and Graft or Block Copolymerization Initiated with Ceric Ion
    Qiu Kun-yuan
    1991, 12(1):  133-138. 
    Asbtract ( )   PDF (473KB) ( )  
    Related Articles | Metrics
    Recent progress of the eerie ion redox initiation systems and eerie ion inititated graft copolymerization and block copolymerization are briefly reviewed. The eerie ion redox initiation systems include: Ce4+/amide, Ce4+/carbamate, Ce4+/carbonyl compound. The graft copolymerizations are graft copolymerization of vinyl monomers onto macromolecules having phenylcarbamoyl or p-tolycar-bamoyl pendant groups and the graft copolymerization of poly (ether-urethane) initiated with eerie ion. The block copolymerization of macromolecules with active terminal groups such as aldehyde using eerie ion as initiator. The reaction mechanism are proposed based on the ESRstudies and the IRend group analysis of polymer obtained.
    The Catalytic Reactivity and Curing Course of Epoxy Resin E-51/MTHPA Catalyzed by the Metal Chelates
    Zhang Bao-long, Ding Pei-yuan, Huang Ji-fu, Du Zong-jie, Guan Jie, Xie Qing-lan
    1991, 12(1):  139-141. 
    Asbtract ( )   PDF (227KB) ( )  
    Related Articles | Metrics
    The catalytic reactivities were studied for the curing of epoxy resin E-51/methylated te-trahydro-o-phthalic anhydride (MTHPA) catalyzed by Cr(Ⅲ) chelates. It is indicated that the most active catalysts are the Cr(Ⅲ) chelates of 5-tertiary butyl furan-methanoic acid, 5-isopropyl furan metharsoic acid and 2-ethyl-hexanoic acid. The effect of various ligands on the reactivities of the Cr(Ⅲ) chelates is discussed. The curing course of the reactions of E-51/MTHPA catalyzed by Cr (Ⅲ) chelates were also studied.