Chemical bond properties and Mossbauer spectroscopy in (La1-xMx)(2)CuO4(M=Ba, Sr)

By using the average band-gap model, the chemical bond properties of (La1-x, M-x)(2)CuO4(M=Ba, Sr) were calculated. The calculated covalencies for Cu-O and La-O bond in the compounds are 0.3 and 0.03 respectively. Mossbauer isomer shifts of Fe-57 doped in La2CuO4 and Sn-119 doped in La2CuO4 were calculated by using the chemical surrounding factor defined by covalency and electronic polarizability. Four valence state tin and three valence iron sites were identified in Fe-57 and Sn-119 doped La2CuO4.

The chemical resolution of racemic cis-2-hydroxymethyl-5(cytosine-1 '-yl)-1,3-oxathiolane (BCH-189)-one direct method to obtain lamivudine as anti-HIV and anti-HBV agent

Racemic cis-BCH-189 can be resolved to (-)-enantiomer (lamivudine) and (+)-enantiomer by esterification of cis-2-hydroxymethyl-5-(N-4(')-acetylcytosine-1'-yl)-1,3-oxathiolane and (+)-menthyl chloroformate in CH3CN with pyridine as base. The two diastereomers of ester were seperated by recrystallization in methanol at 0degreesC. Lamivudine was obtained by deprotection of (-)-diastereomer with high yield.

Colloid chemical approach to nanoelectrode ensembles with highly controllable active area fraction

A novel "bottom-up" approach to highly controllable nanoelectrode ensembles (NEEs) has been developed using colloidal nanoparticle self-assembly techniques. Ibis solution-based strategy allows flexible control over nanoelectrode size, shape, and interspacing of the as-prepared NEEs. Atomic force microscopy (AFM) was proved to be a powerful tool to monitor the NEE topography, which yields parameters that can be used to calculate the fractional nanoelectrode area of the NEEs. AFM, ac impedance, and cyclic voltammetry studies demonstrate that most of nanoelectrodes on the NEEs (at least by 9-min self-assembly) are not diffusionally isolated under conventional ac frequency range and scan rates. As a result, the NEEs behave as "nanoelectrode-patch" assemblies. Besides, the as-prepared NEEs by different self-assembling times show an adjustable sensitivity to heterogeneous electron-transfer kinetics, which may be helpful to sensor applications. Like these NEEs constructed by other techniques, the present NEEs prepared by chemical self-assembly also exhibit the enhancement of electroanalytical detection limit consistent with NEE theory prediction.

Chemical bond properties and Mossbauer spectroscopy in REBa2Cu3O7 (RE = Eu, Y)

By using the chemical bond theory of complex crystals, the chemical bond properties of REBa2Cu3O7 (RE = Eu, Y) were calculated. The calculated covalencies for Cu(1)-O and Cu(2)-O bond in REBa2Cu3O7 compounds are 0.41 and 0.28 respectively. Mossbauer isomer shifts of Fe-57 doped, and Sn-119 doped in REBa2Cu3O7-x were calculated by using the chemical environmental factor, h(e), defined by covalency and electronic polarizability. Four valence state tin ion and iron ion sites were identified in Fe-57 and Sn-119 doped REBa2Cu3O7-x superconductors.

Synthesis of phenyl/amino-capped tetraaniline by chemical and electrochemical methods

Phenyl/amino-capped tetraaniline was prepared by chemical oxidation coupling and electrochemical cyclic voltammetry methods. The MacDiarmid's method of oxidation coupling was improved. The aqueous HCl was replaced with a mixture solution of HCl and acetone and (NH4)(2)S(2)O(0)8 was used as oxidant instead of FeCl3. The reaction displays a higher yield and the product tetraaniline has a higher purity owing to the improvement. In the mixture solution system, tetraaniline can be synthesized by electrochemical cyclic voltammetry method. The mechanism by which tetraaniline was prepared from p-amino diphenylamine was proposed. The product was characterized by MALDI-TOF MS and FTIR.

Polyimides from isomeric biphenyltetracarboxylic dianhydrides and the effects of chemical structure on solubility

A series of homopolyimides and copolyimides was synthesized by the solution condensation of biphenyltetracarboxylic dianhydride (BPDA) isomers and various diamines followed by chemical imidization. These polyimides had intermediate to high molecular weights with inherent viscosities of 0.34-1.01 dL/g for homopolyimides and 0.48-1.02 dL/g for copolyimides. Thermogravimetric analysis indicated that the aromatic polyimides were stable up to 500degreesC, and the 5% weight loss temperatures were recorded in the range of 506-597degreesC in an air atmosphere and in the range of 517-601degreesC in a nitrogen atmosphere, depending on the diamines used. The glass transition temperatures of aromatic homopolyimides were above 271degreesC, while the glass transition temperatures of the copolyimides increased with an increase in the 2, 2', 3, 3'-BPDA-component. The effects of the chemical structure of the polymer chain on the solubility were investigated. It was found that the solubility of BPDA-based polyimides could be improved by the introduction of flexible units, nonlinear and non-coplanar units, and copolymerization. The polyimides with nonlinear and non-coplanar units derived from 2, 2', 3, 3'-BPDA appeared to have prominently enhanced solubility in polar aprotic solvents and polychlorocarbons when compared with the homopolyimide derived from 3, 3', 4, 4'-BPDA.

Relationship between chemical bond parameters and superconducting temperature in HgBa2Can-1CunO2n+2+delta (n=1, 2, 3, 4)

Bond covalency and valence of elements in HgBa2Can-1CunO2n+2+delta (n = 1, 2, 3, 4) were calculated and their relationship with T-c was discussed. For both oxygen and argon annealed samples, the results indicated that with the increase of n, the trend of bond covalency of Hg-O and Cu-O was the same or opposite compared with that of superconducting temperature. This may suggest that the magnitudes of Cu-O and Hg-O bond covalency are important in governing the superconducting temperature. For the highest T-c sample, Hg had the lowest valence, implying that lower valence of Hg was preferred in order to produce higher T-c. For fixed n, the valence of Cu in oxygen annealed samples was larger than that in argon annealed samples, indicating that oxygen annealed samples produced more carriers than argon annealed samples.

Chemical bond parameters in Sr3MRhO6 (M=rare earth)

Chemical bond parameters, that is, bond covalency, bond valence, macroscopic linear susceptibility, and oxidation states of elements in Sr3MRhO6 (M=Sm, Eu, Tb, Dy, Ho, Er, Yb) have been calculated. The results indicate that the bond covalency of M-O decreases sharply with the decrease of ionic radius of M3+ from Sm to Yb, while no obvious trend has been found for Rh-O and Sr-O bonds. The global instability index indicates that the crystal structures of Sr(3)MrhO(6) (M = Sm, Eu, Tb, Dy, Ho) have strained bonds.

Analysis of chemical constituents of essential oil in purple magnolia leaves by gas chromatography-mass spectrometry

The essential oil in purple magnolia leaves was extracted by steam distillation approaches. The oil obtained was dried with anhydrous magnesium sulfate. According to the analysis of gas chromatography/mass spectrometry, more than 40 peaks were separated and 32 compounds were identified. The identified constituents represent 95% of the peak area of the essential oil. The main compounds were germacrene-D, santolina triene, caryophyllene, 1,3,7-octatriene, 3,7-dimethyl, and camphene, etc.

Recent development of tip modification techniques in chemical force microscope

A review is given on the recent development of scanning probe microscope (SPM) tip modification techniques for chemical force microscope, including the preparation and application of SPM tip modified by self-assembled monolayer, atomic force microscope (AFM) tip modified by biological molecule, scanning tunneling microscope tip modified by electrochemical method, AFM tip modified by carbon nanotube.

Chemical bond properties of REBa2Cu3O7 and its Mossbauer spectroscopy

By using the average bond-gap model, the chemical bond properties of REBa2Cu3O7 were calculated. The calculated covalencies for Cu(1)-O and Cu(2)-O bonds in REBa2Cu3O7 compounds are 0.41 and 0.28 respectively. Mossbauer isomer shifts of Fe-57 doped in EuBa2Cu3O7-x and Sn-119 doped in YBa2Cu3O7-x were calculated by using the chemical surrounding factor, h, defined by covalency and electronic polarizability. The valence states and sites of Fe-57 in EuBa2Cu3O7 and Sn-119 in YBa2Cu3O7-x were identified.

Prediction of C-13-nuclear magnetic resonance chemical shifts for aliphatic amines

Prediction of C-13-nuclear magnetic resonance chemical shifts for aliphatic amines is performed. The topological, geological and electronic descriptors are generated. To reduce the variables, the best subsets of the descriptors are obtained by using leaps-and-bounds regression analysis. The model is achieved using multiple regression with satisfactory results.

Calculation of chemical bond parameters in RBa2Cu4O8(R = Dy,Ho,Er,Tm,Yb) and Y2Ba4Cu7O14.3

Chemical bond parameters in RBa2Cu4O8(R = Dy, Ho, Er, Tm, Yb) and Y2Ba4Cu7O14.3 were calculated by using complex chemical bond theory. The results indicated that the bond covalency in CuO chain was larger than that in CuO2 plane. For metal atoms, the bond covalency of five coordinated case was larger than that of six coordinated case.

Application of acetone and dimethyl ether chemical ionization reagent gases to structural analysis

Acetone and dimethyl ether( DME) have been shown to be reagent gases of exceptional utitlity and versatility for the characterization of a variety of class of organic compounds. The fragmentation mechanisms of the adduct product ions, formed by ion/molceule reaction of the substrate with the ionized gases, have been studied and substantiated by experiments with acetone-d(6) and DME-d(6).

Calculation of chemical bond parameters in La1-xCaxCrO3 (0.0 <= x <= 0.3)

The chemical bond parameters, that is, bond covalency, bond susceptibility, and macroscopic linear susceptibility of La1-xCaxCrO3 (x = 0.0, 0.1, 0.2, 0.3) has been calculated using a semiempirical method. This method is the generalization of the dielectric description theory proposed by Phillips, Van Vechten, Levine, and Tanaka (PVLT). In the calculation of bond valence, two schemes were adopted. One is the bond valence sums (BVS) scheme, and the other is the equal-valence scheme. Both schemes suggest that for the title compounds bond covalency and bond susceptibility are mainly influenced by bond valence and are insensitive to the Ca doping level or structural change. Larger bond valences usually result in higher bond covalency and bond susceptibility. The macroscopic linear susceptibility increases (only slightly for BVS scheme) with the increasing Ca doping level. (C) 1999 John Wiley & Sons, Inc.