Bond covalencies in R2BaCuO5 (R = Sm, Gd, Dy, Ho, Y, Er, Tm, Yb, Lu)

Bond covalencies in R2BaCuO5 (R = Sm, Gd, Dy, Ho, Y, Er, Tm, Yb, Lu) were calculated by means of a semiempirical method. This method is the generalization of the dielectric description theory of Phillips-Van Vechten-Levine-Tanaka scheme. The present paper presents the formula concerning the decomposing of complex crystals which are usually anisotropic systems into the sum of binary crystals which are isotropic systems. It can be seen that although the bond covalency is related to many physical quantities, it is mainly influenced by bond valence or bond charge, and a higher bond valence will produce higher bond covalency.

Monte Carlo simulation of phase separation of A/B/A-B ternary mixtures

Monte Carlo simulations were used to model A/B/A-B ternary mixtures with different AB diblock copolymer volume fractions for which both the dispersed and continuous phase volume fractions were kept constant. For concentrations of the diblock copolymer below a critical value, the domain size increment of the dispersed phase decreases linearly with the copolymer concentration. This is in agreement with the predictions of Noolandi and Hong. The dependence of the domain size as a function of the copolymer volume fraction can also be fitted by the equation of Tang and Huang. Our simulations indicate, for the first time, that the micelles form before saturation of the interface occurs. This means that the formation of the micelles is not a result of the saturation of the interface.

The electrochemical behavior of polypyrrole from self-assembly polymerization

The electrochemical behavior and the charge transport of polypyrrole film prepared by self-assembly polymerization have been investigated. Ir is found that the microstructure of the film influences the electrochemical behavior of polypyrrole, and that the p-toluenesulfate (Tos(-)) ion plays avery important role in this system.

Crystal structure and mechanism of (Z)-1-[2-(phenyl-bromide-chloride)vinyl]-1-cyclohexanol

The crystal structure and mechanism of the title molecule are described. This crystal is orthorhombic, belonging to space group PC21/B with a=1,002 1(2) nm, b=1.483 0(3) nm, c=2.173 6(4) nm, V=3.230 39(2) nm(3), Z=2, D-c=1.80 g/cm(3), R=0.069 3. The structure was solved by direct method. The tin atom of the title compound exists in two distorted-trigonal-bipyramidal geometry, defined by two carbon, one bromide, one chloride and one oxygen atoms leading to a five-membered chelate ring. In the structure, the five-membered ring containing the intermolecular O-->Sn has a half chair conformation.

Cyclic voltammetry of dye-modified supported bilayer lipid membranes (s-BLMs)

The voltammetric behaviour of dye-modified supported bilayer lipid membranes is investigated. (C) 1997 Elsevier Science S.A.

稀土化合物填充高聚物的研究进展

总结了稀土化合物在高分子中的应用发展，重点讲述稀土填充高聚物的研究成果，并涉及了笔者在该领域的最新进展。

STUDY ON ELECTROCATALYTIC OXIDATION OF NADH BY FERROCENE DERIVATIVES AND DETERMINATION OF CATALYTIC RATE-CONSTANT AT MICRODISK ELECTRODE

The electrocatalytic oxidation of NADH by ferrocene derivatives and the influence of complexation with beta-cyclodextrin (beta-CD) were investigated at a microdisk electrode in a buffer solution. The cyclic voltammetric behavior of the ferrocene derivatives on the microdisk electrode was used to determine the electron-transfer rate constant from NADH to the ferricinium species. The heterogeneous rate constants and the diffusion coefficient of ferrocene derivatives were determined with the microdisk electrode. The effect of temperature and pH on the electrocatalytic oxidation of NADH were assessed.

FORMATION OF [C60C5H5] ADDUCT CATIONS AND THEORETICAL-STUDY OF THE ISOMERS

We study here the reactions between C-60 and planar C5H5+ cations that lead to the formation of [C60C5H5](+) adduct cations in the chemical ionization source of the mass spectrometer. The structures, stabilities and charge locations of some possible isomers of [C60C5H5](+): sigma-adduct, pi-complex, [1,4]- and [1,2]-addition cations, are studied by AM1 semiempirical molecular orbital calculations. We find that the most stable is the sigma-addition cation. Another interesting and stable structure is the pi-complex cation which is bonded by the electrostatic interaction at the inter-ring distance of 1.589 Angstrom with the C-5v symmetry. The C5H5+ cyclopentadienium cation seems to be an ''inverted umbrella'' sitting on a five-membered ring of the C-60 cage.

DICHLORO(ETA(5)-CYCLOPENTADIENYL)([1-(4-METHOXYPHENYL)CYCLOHEXYL]-ETA(5)-CYCLOPENTADIENYL)TITANIUM(IV)

The title molecule, [TiCl2(C5H5)(C18H21O)], has a pseudotetrahedral bent metallocene structure in which the cyclopentadienyl ring is symmetrically bonded to Ti [range of Ti-C distances 2.36(1)-2.41(1)Angstrom], but the substituted cyclopentadienyl ring adopts asymmetrical bonding [Ti-C 2.33(1)-2.48(1)Angstrom] due to the interaction of the large substituent with the Cl(2) atom. The angle C(11)-C(1)-C(21) is 111.1(8)degrees with the large substituent occupying a cis position with respect to the substituted ring.

THERMAL-DECOMPOSITION PROCESSES OF SOME ELECTRICALLY CONDUCTING POLYMERS INVESTIGATED BY DIRECT PYROLYSIS MASS-SPECTROMETRY

Thermal decomposition processes of poly(thio-1,4-phenylene) (PPS), polythiophene (PT) and polyaniline (PAn) were investigated by direct pyrolysis EI or CI mass spectrometry (DPMS). They can provide up to heptemer pyrolynates and give some structure properties. The results indicate that the thermal degradation all undergoes in radical decomposition, PPS pyrolyzes into linear and cyclic oligmers, but PT and PAn pyrolyze only into linear oligmers.

几种导电聚合物热分解行为的直接裂解质谱研究

本文用直接裂解低能电子轰击电离和化学电离质谱(DPMS)等方法研究了聚对苯硫醚(PPS)、聚噻吩(PT)和聚苯胺(PAn)的热分解行为和某些结构性质,能提供多至7个链节重复单元的裂解碎片.结果表明:几种聚合物的热分解均以自由基方式降解,PPS形成环状和线状齐聚物,PT和PAn只能形成线状齐聚物.

PENDANT FUNCTIONAL-GROUP COPOLYETHER SULFONES .1. SYNTHESIS AND CHARACTERIZATION OF NEW COPOLYETHER SULFONES WITH PENDANT ALDEHYDE GROUPS MODIFIED INTO PHENOLIC AZOMETHINE GROUPS

New functional copolyether sulfones with pendant aldehyde groups were synthesized by the classical polycondensation reaction between 4,4' -dichlorodiphenyl sulfone (I) and various bisphenols such as 5,5'-methylene bis-salicylaldehyde (II-2), 2,2-bis( 4-hydroxyphenyl)propane (III), and 2,6-bis(4-hydroxybenzylidene)cyclohexanone (IV). Condensation reaction with 4-aminophenol led to pendant phenolic azomethine groups containing copolyether sulfones. The structures of the resulting polymers were confirmed by IR, H-1-NMR spectra, and elemental analyses. The polymers were characterized by reduced viscosity, solubility, thermal stability, DSC, and x-ray diffraction measurements.

SYNTHESIS AND MOLECULAR-STRUCTURE OF NBU2[(MEO)3C6H2C(O)N2CHC6H4O]SN FORMED IN THE REACTION OF DI-N-BUTYLTIN(IV) OXIDE WITH 3,4,5-TRIMETHOXY-BENZOYL SALICYLAHYDRAZONE

The title complex was synthesized and characterized by H-1, C-13, Sn-119 NMR and IR spectra. A single crystal X-ray diffraction study confirmed its molecular structure and revealed that 3,4,5-trimethoxy-benzoyl salicylahydrazone was a tridentate and approximately planar ligand. The complex crystallizes in the triclinic space group P1BAR with a = 9.208(3), b = 12.536(2), c = 12.187(4) angstrom, alpha = 113.12(2), beta = 90.58(2), gamma = 81.42(2), V = 1277.5(6) angstrom, Z = 2. The structure was refined to R = 0.033 and R(w) = 0.041 for 3944 observed independent reflections. The tin atom has a distorted trigonal bipyramidal coordination. The Sn-C bond lengths are 2.129(5) and 2.113(5) angstrom (av. 2.121(5) angstrom), the C-Sn-C angle is 123.3(2); the bond length between the tin atom and the chelating nitrogen is 2.173(3) angstrom. Two chain carbon atoms and the chelating nitrogen atom occupy the basal plane. The skeleton of two erect oxygen atoms and the tin atom is bent (O-Sn-O angle = 153.5(1)). In the complex, the ligand exists in the enol-form.

ISOLATION AND PROPERTIES OF MOLYBDENUM SERIES OF HETEROPOLY BLUE WITH KEGGIN STRUCTURE

The present paper reports the methods for preparing and isolating 8 kinds of 1:12 molybdenum series of heteropoly blue complexes KyHzXMo12O40 . nH2O (X=Si, P, As, Ge). The products were characterized by elemental analyses, potential titration, polarograms, cyclic voltammetry, IR spectra, visible-UV spectra, X-ray powder diffraction, XPS and P-31 NMR. The single crystal structure of 4-electron molybdenum-silicon heteropoly blue was measured and the positions of reduced molybdenum atoms were determined, i.e. they were located at Mo(3), Mo(7), Mo(8) and Mo(10). The experimental results show that the heteropoly blue remains Keggin structure. ESR spectra of heteropoly blue solids were first studied, from which it was found that the delocalization extent of 2-electron heteropoly blue and 4-electron heteropoly blue is smaller than that of 1-electron heteropoly blue. The study of thermal properties shows that the thermal stability increases with the increase of the reduction extent of heteropoly blue. The study of redox properties shows that the oxidizing power order of heteropoly blue changes in different mediums, and the polarographic half-wave voltage is found to be dependent on the electronegativity of the hetero atom linearly. It is found that the phosphorus heteropoly blue and arsenic heteropoly blue show a strong anti-acid property.

A STUDY OF MODE-I DELAMINATION RESISTANCE OF A THERMOPLASTIC COMPOSITE

This paper describes the mode I delamination behaviour of a unidirectional carbon-fibre/poly(phenylene ether ketone)(PEK-C) composite. Tests have been performed on double cantilever beam (DCB) specimens. Several data reduction schemes are used to obtain the critical strain energy release rate, G(IC), and the results are compared. It is shown that when using a DCB test to determine the fracture toughness, corrections must be employed. The experimental methods have been described for ascertaining the correction terms, and the results are consistent after modification. Some of the authors' results are different from those of other authors, particularly the negative correction term for crack length, the larger exponent (n > 3) in the relationship C = Ra(n), and decrements of flexural modulus with the crack growth when using the simple beam theory to predict the bending behaviour of DCB specimens. The possible reasons are discussed.