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Table of Content

    24 October 1984, Volume 5 Issue 5
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    Articles
    The Synthesis and Crystal Structure of a Heptaco ordinated Molybdenum Complex,Mo(NO) (α-C10H7CS2)3·1/2C4H8O2
    Tang Kaluo, Jin Xiangling, Zhong Muning
    1984, 5(5):  593-598. 
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    Using a simple and convenient method, we have prepared the mononitrosyl compound Mo(NO)(a-C10H7CS2)3·1/2C4H8O2. The crystal structure of this compound has been determined by the singlecrystal X-ray diffraction method.The crystal belongs to monoclinic space group C2h5 - P21/a with unit cell parameters a = 14.198(6)Å. b= 12.844(5) Å, c = 18.205(8) Å, β = 101.34(3)°, V = 3254.9Å3 and Z=4. The structure was refined to R = 0.0947 for 3356 reflections.The coordination number for the Mo atom is seven. The coordination polyhedron around the Mo atom is semewhat distorted pentagonal bipyramid. The linear group of Mo—N—O occupies an axial position. Three a-dithionaphthoate ligands coordinate to Mo atom through the Satoms.
    The Measurements of Solution Heat for La(NO3)5·nH2O in Water and La(NO3)5·H2O in Alcohols
    Guo Wei, Song Disheng, Liu Yilun
    1984, 5(5):  599-602. 
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    The solution heats of La(NO3)5 ·nH2O (where n = 6,4,1,0) in water were measured calorimetrically at 25℃. Their values are 5.448 ±0.006, 1.415 ±0.004, -13.301 ±0.005 and - 20.330 ± 0.070 Kcal/mol, respectively. The standard formation heats of these compounds, and their enthalpies of dehydration and lattice energies were calculated. The solution heats. of La(NO3)5H2O in methanol, ethanol and n-pro,pyl alcohol were, measured calorimetrically at 25℃. Their values are - 19.086 ± 0.021, -14.362 ±0.054 and - 11.755±0.054 Kcal/mol,respectively.
    Coordination of Rare Earths with l-Aspartic Acid and d。l-Asparagine
    Yao Kemin, Liu Min, Wang Guangren, Zhang ye
    1984, 5(5):  603-608. 
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    In this paper protonation constants of the title ligands at various temperatures as well as stability constants(K1, K2) of its chelates with rare earth elements in H2O and in mixed solvents were determined potentiometrically at 30℃ and at ionic strength of 0.10. The calculations of these constants were carried out by different methods on DJS-131 electronic computer, the data have been also treated by a least-squares method. Two important facts can be observed from the results obtained. First, there is an apparent "tetrad effect" in both systems. The second fact to observe is the shift of the y position from its usual Ho-Er region to the vicinity of Gd (for aspartic) and Nd (for asparagine system). It can be reasonably explained by the different polarizability between the lanthanides and yttrium ion.
    The Mechanism of Transformation of NaA to NaHS Type Zeolite
    Ma Shujie, Xu Ruren, Zhao Zheming, Li Yanhua
    1984, 5(5):  609-612. 
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    We have investigated the tranformation of NaAto NaHS (sodalite) type zeolite from an initial gel of batch composition 3Na2O·Al3O2·2SiO2·60H2O at 100℃. In order to explain the mechanism of this process, we proved the formation of nuclei of NaAand NaHStype zeolite in liquid phase by electron diffraction technique, and we used the electron micrograph, X-ray diffraction, TMS - GC and other methods to investigate comprehensively the changes of partical size and morphology of zeolite, the existing species and their distribution of lower silicate anions in liquid and solid phase in the course of transformation of NaAto NaHS. Aliquid phase transportation mechanism of transformation was suggested.
    The Studies on Ternary System of LiCl-CS(NH2)2-H2O and LiCl CH3CONHCONH2 H2O
    Chen Peihcng, Wang Shixiong, Wang Yuoli, Li Fuling, Xu Xiangrong, Chen Yunsheng
    1984, 5(5):  613-615. 
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    The solubilities and refractive indices of saturated solution of the systems LiCl-CS(NH2)2-H2O (Ⅰ) at 0℃, 25℃ and LiCl-CH3-CONHCONH2-H3O (Ⅱ) at 0℃, 35℃ are reported.The system (Ⅰ) is a simple eutonic one, its solubility curve and refractive index curve consist of two branches, corresponding to solid phases CS(NH2)2, LiCl·2H2O (0℃) or LiCl·H2O (25℃) respectively.In system (Ⅱ) an incongruently soluble compound LiCl·CH5CONH-CONH2 is formed.The solubility curve and refractive index curve of the system consist of three branches, corresponding to CH3CONHCONH3, LiCl·CH3CONHCONH2, and LiCl·2H2O (0℃) or LiCLH2O (35℃) respectively.LiCl·CH3CONHCONH2 shown for in this paper the first time,can be decomposed by the moisture of air.
    Determination of Extraction Eguilibrium Constants and Successive Complex Formation Constants of Sc(Ⅲ)-1-phenyl-3-methyl-4-formyl-pyrazol-5-one (PMFP) and Sc(Ⅲ)-1-phenyl-3-methyl-4-trifluoroacetyl-pyrazol-5-one (PMTFP)
    Zhang Huinong, Yu Ying, Shi Hao, Zhang Hualin
    1984, 5(5):  616-618. 
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    The extraction systems of Sc(Ⅲ)/0.5MNaClO4/PMFP-C6H6 and Sc(Ⅲ)/0.5MNaClO4/PMTFP-C6H6 were studied.The Extraction equilibrium Constants and the successive overall fo rmation constants of complexes were determined.
    Synthesis of Boron-Silicon Pentasil Type Zeolite in the Presence of Ethanol
    Pang Wenqin, Qiu Shilun, Meng Xianping, Xu Yuhua, Wan Songping, Shen Rentai, Li Shijie, Ma Yawei
    1984, 5(5):  619-621. 
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    Boron-silicon pentasil type zeolites were synthesized from sodium silicate, boric acid, sodium hydroxide and water in the presence of ethanol. Effects of the composition of starting materials and the temperature and time of crystallization were investigated.Also some properties of B-Si pentasil type zeolites such as stability to heat and acid, infrared absorption were studied.
    The Speciation of Mercury in Soil and Sediment
    Zhang Hanqi, Li Wanchun, Wu Baohua, Wang Fengchi, Jin Qinhan(Q. Jin)
    1984, 5(5):  622-626. 
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    A systematic procedure for speciation of mercury in soil and sediment based on differences of redox and solubility between various mercury species was established. Experimental conditions were optimized and interferences between different species studies. The procedure was applied to practical samples and it was shown that results obtained were satisfactory.
    The 1.5th Order Differential Electroanalysis with DME
    Wang Yaoguang, Huang Zuopeng
    1984, 5(5):  627-630. 
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    In this paper, the values of the hyperbolic function term in the equation of the 1.5th order differential electroanalysis with DMEare calculated by using a TP803 microcomputer.The epuations of peak height, peak width and peak potential are given. Experimental results obtained with the oscilloscopic neovoltamograph made in our laboratory are shown to be in good agreement with theory. It is proved that this technique provides higher sensitivity and better resolution than ordinary linears sweep voltammetry.
    Polarographic Study on Bismuth (Ⅲ) Complex with Nitrilotriacetic Acid
    Gao Qian, Sun Changqing, Xu Yongji
    1984, 5(5):  631-634. 
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    The polarographic behavior of bismuth(Ⅲ)complex with nitrilotriaceticacid (NTA), including the stability constant, thermodynamic functionand the mechanism of the complex formation, has been studied. Thestability constant of BiXcomplex is determined by using the equationfor the shift of half-wave potential of kinetic wave.
    Solvation Effects on Colour Reactions of Multicomponent Complexes of Iron(Ⅲ)
    Ci Yunxiang, Yang Ruomin
    1984, 5(5):  635-640. 
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    The organic solvation effects on the colour reactions of Fe(Ⅲ)-chromazurol S(CAS)-cetyltrimethyl ammonium bromide(CTAB) system have been investigated. In the presence of organic solvent the wavelength of maximum absorbance of the multicomponent complex shows slightly hypsochromic shift, and the organic solvent greatly increases the colour reaction sensitivity(molar absorptivities of the ternary complex Fe-CAS-CTABand its solvation complex of acetone are 1.36×105 l·mole-1·cm-1 and 2.68×165 l·mole-1 ·cm-1 respectively). At the same time the organic solvent could effectively improve the reaction selectivity. The influence of foreign ions has been studied and a new spectrophotometric method for the determination of trace iron recommended. The method could be applied to the direct spectrophotometric determination of microamount of iron in pure rare earths oxide and metallic zinc. The mechanism of the solvation effect has been explored. The composition and the solvation number of the multicomponent complex of iron has also been determined. The effect of organic solvents on the stability constants of the iron complexes with CASand on the acid-dissociation constants (Ka3 & Ka4) of CAS, and on the magnetism of ferric ion has been studied in connection with the role of organic solvents .
    Preparation of Potassium and Thallium Ion Selective Electrodes Containing 1,3,5-Triazine Biscrown Ethers PVC Membrane
    Huan Depei, Zhu Chunsheng, Zhang Jinqi, Wang Defeng, Hu Hungweng
    1984, 5(5):  641-642. 
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    In this paper, the preparation of potassium and thallium ion selective electrodes containing 1,3,5-triazine biscrown ethers PVCmembrane have been studied.
    The Ultramicro Determination of Serum Iron and Total Iron Binding Capacity by Means of Electrothermal Atomic Absorption Spectrophotometry
    Zhong Youlan, Wang Chunlan, Liang Shuquan(Shu-Chuan Liang), Hu Yamei, Zhang Mingqun
    1984, 5(5):  643-645. 
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    An electrothermal ZAAS ultramicro method is described for determining serum iron (SI) and total iron binding capacity (TIBC) in 40μl of serum after pretreatment with trichloroacetic acid for elimination of the interference from hemolysis.The results of SIand TIBCobtained by the ultramicro method agree with those by conventional flame FAAS.This method is convenient and accurate, and can be adopted to routine analysis in pediatrics clinic laboratories for large scale surveying of iron deficiency anemia of children.
    A Study of Liquid Memberane Complex Anion of Niobium-Tartaric Acid Electrode Based on Trioctylhexadecylammonium Site
    Huang Shasheng, Zhu Yuanbao, Yan Guoqiang
    1984, 5(5):  646-648. 
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    The study of niobium-tartaric acid complex anion electrode based on trloctylhexadecylammonium site have been described. Electrodes prepared from dinenylphthalate shows the best performance characteristics and has been studied in more detail. The Nernstian response range of the electrode is from 10-2 down to 5.0 × 10-6M, the detection limit being 3.5×10-6M. They are found satisfactory in the lifetime, response time, selectivity and stability. The proposed electrode has been testified by determining niobium concentration of mineral.
    Synthesis of a New Type Nitrogen-Containing Crown Ether Compounds
    He Yongbing, Wu Chengtai
    1984, 5(5):  649-652. 
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    This paper reports the synthesis of a new nitrogen-containing crown ether compounds (azacrown-ether). Condensation of 1, 2-bis(ω-chloro-polyoxaalkyl)-benzene such as 1, 2-bis (5-chloro-3-oxa-l-pentyloxy)-ben-zene, 1, 2-bis(8-chloro-3, 6-dioxa-l-octyloxy)-benzene and 1,2-bis (11-chloro-3,6,9-trioxa-1-undecyloxy)-benzene with N, N′, N"-tritosyl diethylenetriamine or N, N′, N", N′"-tetratosyl triethylenetetraamine disodium salts in anhydrous DMFat reflux temperature for 7-8 hours produced six new nitrogen-containing crown ether compounds, yield 46-75%.
    The Preparation of Some N-Mannich Bases of Bicyclo(2,2,1) Hept-5-ene-1,4,5,6,7,7-Hexachloro-2,3-Dicarboximide
    Yuan Qibin, Chen Guangxu, Xu Xiujuan
    1984, 5(5):  653-656. 
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    Bicyclo(2,2,1)hept-5-ene-1,4,5,6,7,7-hexachloro-2,3-dicarboximide has been prepared by fusing bicyclo(2,2,1)-hept-5-ene-1,4,5,6,7,7-hexachloro-2,3-dicarboxylic anhydride with urea. This imide reacts with formaldehyde and arnine(aromatic as well as aliphatic) in ethyl alcohol at room temperature to give N-Mannich bases in good yields. Twenty-four such bases, of which twenty-two are new compounds, were prepared by this method except No. 11 and 13 (see table). At room temperature, p-nitroariline or o-nitroaniline reads with this imide and formaldehyde yielding the bis(p-nitrophenylamino)methane or bis(o-nitrophenylamino) methane. When they are refluxtd for one hour, the expected N-Mannich bases were also obtained.These N-mannich bases can also be obtained by first converting the imide to the N-hydroxymethyl derivative followed by treatment with amine.It was found that the imide can also react with the amine-formaldehyde condensation product to yield N-Mannich bases without the aid ofexternally added acid.
    Preface
    The PMR Study of (C3H5COCHCOC6H8)2EuC5H5
    Zhu Shenjie, Sha Kunyuan, Tan Hai'an, Gao Zhenheng
    1984, 5(5):  657-660. 
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    The PMR of (C6H5COCHCOC6H5)2EuC5H5 obtained from the reaction .between (C6H5COCHCOC6H5)2Eu·OCOCH5 and C5H5Na is taken. The structural formula of this compound is proved by the resultof its PMRanalysis to be (C6H5COCHCOC6H5)2Eu- , ie, there isa σ-bond between the cyclopentadienyl group and europium.
    Articles
    Thermodynamics of Specific Retention Volumes in Couple Columns, Heterogenous Packing Columns and Homogeous Packing Columns of Gas-Liquid Chromatography
    Zheng Guokang, Chen Wufeng, Liu Lan, Gong Hua, Chen Mingzhi
    1984, 5(5):  661-665. 
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    The specific retention volumes of some solutes in some binary stationary liquid employed as couple columns, heterogenous packing columns and homogeous packing columns have been measured. By using the Flory-Huggins equation for ternary system and the values of Flory-Huggins interaction parameter characterizing interactions between two different solvent molecules, the cause of the difference of the retention behavior between these three kinds of packing column have been revealed from the point of view of thermodynamics aspect.
    Preface
    Synthesis of Amide Esters of Thiopyrophosphoric Acid
    Chen Tianchi, Lin Mubin
    1984, 5(5):  666-668. 
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    Eight new amide esters of thiopyrophosphoric acid were prepared. Their general formula is expressed as follows:   They were proved to exist in thiono-form by IR. Some of them have high biological activities to insects.
    Articles
    Synthesis of Bis-Crown Ethers Containing 1,3,5-Triazine Ring
    Zhu Chunshen, Wang Defen, Cheng Shaozun, Hu Hongwen
    1984, 5(5):  669-670. 
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    The bis-crown ethers was synthesized by the reaction of 4'-aminoben-zo-15-crown-5 with 4,6-dichloro-2-octyloxy-l,3,5-triazine and used for the preparation of potassium-sensitive PVCmembrane electrod.
    The Separation and Structural Determination of 7-Methoxychamaejasmine
    Yang Weiwen, Xing Youquan, Song Maosen, Xu Junying, Huang Wenkuei
    1984, 5(5):  671-673. 
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    The authors of the present paper extracted the precipitates of the acidified solution resulted from the diluted alkaline solution soaked the roots of Stellera Chamaejasme L, evaporated the extract, acetylated the residue, hydrolyzed the acetylated product, separated the resulted substance by TLCand obtained a phenolic composition. The authors determined this composition by IR, UV, MSand NMRand defined its structure as 7-methoxychamaejasmine.
    Chemical Studies on the Tetracyclic Triterpenic Saponins in Flowers-buds of Panax ginseng C. A. Meyer
    Shao Chunjie, Xu Jingda, Jiang Xikun, Cheng Guangrong
    1984, 5(5):  674-676. 
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    Two tetracyclic triterpenic saponins, FC1 and FD3, were isolated from the flower-buds of Panax ginseng C.A.Meyer produced in Jilin province of China. The chemical structures of FC1 and FD3 were established as ginsenoside-Rb2 and 20-glucoginsenoside-Rf, respectively, by means of IRspectra, mass spectra and nuclear magnetic resonace, as well as chemical evidence.
    Research on 2,5-Disubstituted Benzoxazoles——2-(4'-Biphenyl)-5-substituted Benzoxazoles
    Wang Mingzhen, Pan Jiaxing, Jing Naiying, Xiao Changhe
    1984, 5(5):  677-679. 
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    Eleven of the 2-(4'-biphenyl)-5-substituted benzoxazoles are synthesized. Their m.p., λmax of UVabsorption spectra and fluorescence emission spectra, fluorescence quantum yield as well as laser properties of the compounds are given in tables.
    Research of Organophosphorus Compounds(Ⅳ)——Synthesis of S-Alkyl-S-(Carbamoyl-Methyl) Ethylphosphonotrithioates
    Wu Junhe(Wu Kiun-Houo), Sun Xiongming
    1984, 5(5):  680-682. 
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    In the presence of benzene as solvent, the ammonium S-alkyl ethyl-phosphonotrithioates were prepared by reaction of the ethylthionophosphine sulfide with mercaptans for 6-8 hrs, and then into which the dried ammonia gas was introduced.Through the reaction between those above ammonium salts and N-substituted a-chloroacetylamide, we obtained twelve S-alkyl-S-(N-substituted carbamoyl-methyl) ethylphosphono-trithionates. But, we could not obtain the products by means of the sodium salts instead of the ammonium salts.
    Synthesis of O benzoyl Pyridine-2-and 4-Aldoxime Derivatives and Their Quaternizations
    Zhou Xirui
    1984, 5(5):  683-685. 
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    O-Benzoyl-,O-( 3,4,5-trimethoxybenzoyl)-, O-( 4-chloro-benzoyl)-and O-(4-nitrobenzoyl)- pyridine-2- and 4-aldoximes were synthesized conveniently from the acylation of pridine-2-and 4-aldoximes with corresponding aroyl chlorides by a modified procedure. From the quaterniza-tion of O-benzoyl, O-(3, 4, 5-trimethoxy-benzoyl)-and O-(4-chlorobenzoyl) -piridine-4-aldoximes with methyl iodide the normal methiodides were obtained, but during the quaternization of the corresponding derivatives of 2-aldoximes the β-elimination also occurred so that only the abnormal product of 2-cyanopiridine methiodide was formed. Both O-( 4-nitroben-zoyl )-piridine-2- and 4-aldoximes reacted not with methyl iodide.
    Attempts of Converting Simple Carboxylic Acids Bearing A Quaternary Ammonium Chlorido Group into Their Acid Chlorides
    Ma Qinyi, Li Liangzhu, Zhang Pang
    1984, 5(5):  686-688. 
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    Of pyridinium chloridoacetic acid(1), N, N-dimethylanilinium chloridoacetic acid(2), 6-trimethylammonium chloridocaproic acid(3),.p-trimeth-ylammonium chloridobenzoic acid(4),and triethylammonium chloridoacetic acid(5),only the last one was transformed by treatment with thionyl chloride into its acid chloride(6), which was identified by converting to p-bromo-, p-iodo-,and 3,4-dimethylanilides.It seems that simple carboxylic acids bearing a quaternary ammonium chloride group are not easily transformed into their acid chlorides probably owing to their insolubility in both chlorinating agents and organic solvents.
    The Dispersive Model on the Surf ace of Ni-Mo/γ-Al2O3 Catalysts and Its HDN Activity
    Yang Huixing
    1984, 5(5):  689-694. 
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    This paper is concerned with the dispersive model on the surface of Ni-Mo catalysts. Although the catalysts were prepared with double impregnation, it was found by XPSthat active ingredients were well dispersed on the surface of the support a'nd did not cover each other. Amonolayer model was proposed instead of a "bilayer" structure suggested by some literatures.The HDNexperiments showed that activity of catalysts varied with the composition of catalysts and reached, a maximum at 3.5%(wt) NiO-14.5%(wt)MoO3. The similar result was reported for HDSin some literatures and explained by the synergism-by-contact model proposed by Delmon et al. It is apparent that the result in this paper could not be explained by that model.
    A Study on the Indexing of X Ray Diffraction Values of Powder Specimen for Uranyl Perchlorate Hexahydrate
    Han Jiancheng, Lu Mingliang, Wu Xinran
    1984, 5(5):  695-698. 
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    In this paper, the X-ray diffraction values of powder specimen of uranyl perchlorate hexahydrate have been determined by a modified experimental method, and all of these values have been indexed by an improved analytical method.The crystal of uranyl perchlorate hexahydrate has an orthorhombic unit cell with a0 = 14.59221, b0 = 9.2286Å, c0=5.3836Å and Z=2.The space group is D26 - C222, C2v11 - Cmm2 or D2h19-Cmmm. The Dx is 2.643g/cm3.
    The Research on the Crystal Structure of the Complex of Platinum Di (Triphenylphosphine) Methyl Formate Chloride
    Wang Fengshan, Fan Yuguo, Cong Qiuzi
    1984, 5(5):  699-702. 
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    The crystal is light yellow and transparent. It belongs to space group P21/n of monoclinic system with unit cell constants a = 12.239(6)Å, b = 23.697(8)Å, c = 12.802(5)Å, β=113.86(2)°, V = 3396(1) Å3 ,F(000) = 1548 (e), Z = 4 and has a formula of PtCP(C6H5)3]2 COOCH3 Cl. A final consistency factor R=0.0692(Rw = 0.0519) was given by the block-diagonal least-squares refinement for the crystal structure. The result of structure analysis shows that this new complex consists of two triphenylphosphines, me methyl formate and one chlorine atom bonded by coordinate bonds.
    A Method for Studying the Numbers and Distribution of the Metal Ion on Oxide Catalyst Surface by Molecule Probe
    Wang Ming, Tang Xinshuo, Jin Songshou
    1984, 5(5):  703-708. 
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    In this paper, the author proposed a new method of molecule probe for studying the numbers and distribution of the metal ion (or oxygen vacancy) on oxide catalyst surface by pulse chromatography technique, and applied it to the investigation of some V2O5, V2O5-P2O5 catalysts with different constituents or prepared by different methods.
    Preface
    Regressing Simulation to the Kinetics of Emulsion Polymerization for Octamethylcyclotetrasiloxane
    Chang Mian
    1984, 5(5):  709-712. 
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    Based on the experiments of the emulsion polymerization for the octamethylcyclotetrasiloxane (D4), the physical concepts are introduced in the equation to substitute the polynomial of Bernstein in the Euclid space after analyzing the inherent law of discrete relative variables so that the approximate processes can be simplified and a mathematical model according to the wide range of the experiments has been put forward for the polymerization of D4 in the following equation:   The processes of D4 emulsion polymerization can be described with the model above.
    Articles
    Infrared and Raman Spectra of Lanthanide Acetylacetonate-α,β,γ,δ-Tetraphenyl-porphrin Complexes
    Liu Guofa, Zhang Yuanfu, Zhao Yongnian, Wang Guifu, Wang Yutian
    1984, 5(5):  713-717. 
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    The infrared and Raman spectra of 11 lanthanide acetylacetonate -a, β, γ, δ- tetraphenylporphyrin complexes LnTPPacac (Ln. lanthanide elements, TPP. tetraphenylporphyrin, acac: acetylacetone)in the region 200-4000cm-1 and 100-4000cm-1 have been measured respectively.Because of the coordinate bonding between the rare earth ion and nitrogen in TPPforms, the band near 400cm-1, M-Ostretching vibration on the acetylacetonate ring, becomes weaker, this band is shifted to the lower wavenumber, and it is sensitive to a change in rare earth ion and its frequency changes periodically with the atomic number and total angular quantum numbers of the rare ion, showing the "tetra effect" and "inclined Weffect" characteristic of lanthanides.The band near 984cm-1, the C-H rocking vibration in pyrrole also shows mentioned above laws.The band 3317cm-1, N-Hstretching vibration, disappears upon complex formation, the vibration coupling between the M-Nstretching and the ring deformation appears.
    Determination of the Diffusion Coefficients of Iron,Cobalt and Nickel in Mercury
    Zhang Changgeng, Sun Gang
    1984, 5(5):  718-720. 
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    The diffusion coefficients of Fe, Co and Ni are determined in mercury by using Gao, H. and Zhang, C. G. method.The radii of diffusion particles in mercury are calculated by applying the relation between diffusion coefficients of metals in mercury and radii of diffusion particles.It is shown that iron exists in mercury as monoatomic molecule, but cobalt and nickel undergo combination with mercury.
    Improvements of the Algorithm of CNDO/2 Geometry Optimization
    Chen Zhixing
    1984, 5(5):  721-722. 
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    A CNDO/2 geometry optimization program is written in the BD-200 algorithmic language for DJS-18 type computers with some study of algorithmic improvement. The optimization method proposed by Davidon is adopted with the parameter β variable versus the p-value instead of a fixed β. The density matrix of the old cycle in the optimization iteration is retained as an initial density matrix instead of a new Huckel guess for the new cycle. Variable energy tolerances are used in self-consis-tcnt-field iterations to provide increassing precision of the density matrices. These improvements result in high reliability and comparatively low computation time.
    The Derivation of Selection Rules for Concerted Reaction
    Yao Chongfu
    1984, 5(5):  723-724. 
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    When the total number of carbon atoms for electrocyclic, cycloaddi-tion, and sigmatropic reactions are even, the determination of the correlation of bonding and antibonding in correlation diagrams depends on whether the constant term can be zero or not, thus deriving the selection rules for concerted reaction.
    A Program for the Calculation of Ligand Field Theory
    Li Xuequi, Cheng Yu
    1984, 5(5):  725-726. 
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    It is known that in ligand field theory, the values of parameters with respect to the coulomb, the crystal field and spin-orbital interactions are determined by experimental data. For the purpose of pratical calculations, a program for obtaining the optimal values of parameters is designed. This program can be used effectively to analyse the spectrum of transition metal and rare-earth complex compounds. For brevity, the details of the program will not be presented in this paper. Only the calculation result for the ion Re+4(5d3) in K2PtCl6 crystal is reported.
    Copolymerization of 1,3-Butadiene and Styrene by n-BuLi-THF Initiation(Ⅰ)——Synthesis and Molecular Design
    Cheng Zisheng, Chen Weijie, Ying Shengkang
    1984, 5(5):  727-731. 
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    This paper describes the results of studies on the anionic copolymeri-zation of butadiene and styrene initiated by n-BuLi-THFin cyclohexane. From the experimental data obtained, integral and differential composition distribution curves of incoporated styrene in copolymer at various B/Sratio have been ploted. By adjusting conc.of THEand n-BuLi, B/S, ratio and temperature, the molecular design of butadiene-styrene copolymer with different molecular weight, Tg, styrene content and microstructure of polybutadienc chain segment could be realized.
    Synthesis of 14-Oxabicycloclo[10,3,0]-2-Pentadecene with Strongly Acidic Cation Exchange Resins as Catalysts
    He Binglin(Ho Ping-Lum), Sun Juntan, Li Hong, Li Yuzhuo, Zhu Xiaoxia, Wang Yuqin
    1984, 5(5):  732-736. 
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    The title compound was synthesized by the reaction of cyclododecene with pafaformaldehyde using three kind's of strongly acidic cation exchange resins, i.e., polystyrene, phenol formaldehyde and perfluorinated resin sulfonic acid, as catalysts. The catalytic efficiency of the resin acids, described above, was examined and the results obtained were compared with that of benzene suifonic acid and toluene sulfonic acid. The influence of the pore size, bead size and reaction conditions employed for the catalytic behaviour of the polystyrene sulfonic acid was studied.From the results of the experiments, It was shown that the perfluo-riflated resin sulfonic acid (Nafion Hform) and macroporous cross-linked" polystyrene sulfonic acid (DVB 10%, average pore radius 3.9×102Å, specific surface area 20m3/g) possess satisfactory catalytic activity.
    Relationship Between the Heat-Stability of Polyele-ctrolytes Used as Water Loss Control Agents for Drilling Mud and Their Structures
    Huang Yuhui, Li Zhuomei
    1984, 5(5):  737-742. 
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    The heat-stability of four kinds polyelectrolytes, HPAM, Spu(1), Na-CMC, and; FGLSwith different structures from each other, has been studied by the following methods: viscometry, conductimetric titration, IR, TGAand oxyluminescence.The changes of molecular weight and molecular structure, the results of TGAand the activation energies of oxidation as well showed that the heat-stabilities were in the following order:Spu(1)>FCLS>HPAM>Na-CMC.The heat-resistence of the drilling muds treated by these polyelectrolytes related closely to their structures.
    Study on Adhesion of Epoxy Resin to Glass
    He Pingsheng, E. H. Andrews, C. Vlachos
    1984, 5(5):  743-748. 
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    Adhesion of an epoxy resin to glass has been investigated by fracture mechanics test.Specimens were tested after various times of immersion in water at 80℃, and the adhesive failure energy 6 determined as a function of crack velocity. The effects of adding silane coupling agents to the epoxy resin, and the influence pH of water were studied.Using the generalized fracture mechanics theory, an intrinsic adhesive failure energy θ0 which is defined as the energy required to break interatomic bonds across unit area of the interface were separated from 9, The θ0 value of dry sample, 7.25Jm-2, is approximately 24 times the expected Van der waals interaction energy and this suggests that at least some of the bonds between epoxy resin and glass are primary.
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