Spectral weight contributions of many-particle bound States and continuum

Cluster expansion methods are developed for calculating the spectral weight contributions of multiparticle excitations--continuum and bound states--to high orders. A complete 13th order calculation is carried out for the alternating Heisenberg chain. For lambda=0.27, relevant to the material Cu(NO3)(2).2.5D(2)O, we present detailed spectral weights for the two-triplet continuum and all bound states. We also examine the variation of the relative weights of one- and two-particle states with bond alternation from the dimerized to the uniform chain limit.     

Measurement of the total active 8B solar neutrino flux at the Sudbury Neutrino Observatory with enhanced neutral current sensitivity

The Sudbury Neutrino Observatory has precisely determined the total active (nu(x)) 8B solar neutrino flux without assumptions about the energy dependence of the nu(e) survival probability. The measurements were made with dissolved NaCl in heavy water to enhance the sensitivity and signature for neutral-current interactions. The flux is found to be 5.21 +/- 0.27(stat)+/-0.38(syst) x 10(6) cm(-2) s(-1), in agreement with previous measurements and standard solar models. A global analysis of these and other solar and reactor neutrino results yields Deltam(2)=7.1(+1.2)(-0.6) x 10(-5) eV(2) and theta=32.5(+2.4)(-2.3) degrees. Maximal mixing is rejected at the equivalent of 5.4 standard deviations.     

Charge transfer complexes and cation radical salts of azino-diselenadiazafulvalene

The synthesis and the redox behaviour of electroactive donor molecules incorporating an azino spacer group between a benzoselenazole core and another heterocyclic moiety, either a benzoselenazole one or a thiazole one, are reported. Neutral complexes were obtained with TCNQ and, for the first time with dithiadiazafulvalene or diselenadiazafulvalene derivatives, cation radical salts by electrocrystallization. Crystal structures data of these complexes are presented and their geometries compared with those deduced from theoretical calculations.     

Neue Derivate der 2-Acylamino-thiophen-(und-benzo[b]thiophen-)-3-carbonsäure sowie des ([1]Benzo-)Thieno[2,3-d]-pyrimidin-4(3H)-ons

The title substances1 and2 were prepared by acylation of the corresponding ethyl 2-amino-thiophene- (or:-4,5,6,7-tetrahydro-benzo[b]thiophene)-3-carboxylates, in some cases followed by reactions introducing a basic substituent.Additionally a group of 2-aroylamino-thiophene-(or:-4,5,6,7-tetrahydro-benzo[b]thiophene)-3-carboxamides was subjected to ring closure reactions, yielding the corresponding 2-aryl-thieno[2,3-d]pyrimidin-4(3H)-ones and 2-aryl-[1]benzothieno[2,3-d]pyrimidin-4(3H)-ones (both:3).

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Zum Teil unter Mitarbeit vonFerdinand Fuhrmann     

Finite-size scaling corrections for the eight-vertex model

Finite-size scaling corrections are calculated analytically for two of the maximal eigenvalues of the transfer matrix in the isotropic eight-vertex model. The valuec=1 for the conformal anomaly of the Virasoro algebra is confirmed.     

Carbon-13 chemical shifts of inverted carbon atoms

The inverted carbons in 2,4-methano-2,4-dehydroadamantane are shielded by 14.3 ppm relative to the corresponding carbons in 2,4-methanoadamantane. This was explained by the balance of the inverted carbon hybridization deshielding, the shielding effect of the cyclopropane rings formed, and the change in the influence of the neighbouring atoms.     

Chemical Composition,Antioxidant and Antimicrobial Activity of Raspberry,Blackberry and Raspberry-Blackberry Hybrid Leaf Buds

In our investigation, the chemical composition and bioactive potential of leaf buds of raspberry, blackberry, and a raspberry-blackberry hybrid were determined. Antioxidant and antimicrobial properties were tested in water (W), ethanol-water (EW), and glycerol-water (GW) extracts from the buds. These plant organs contain relatively large amounts of minerals, especially Fe. The total antioxidant capacity (TAC) measured by the ABTS and DPPH methods ranged from 2.86 to 12.19 and 6.75 to 24.26 mmol per 100 g fresh weight (FW) of buds, respectively. TAC values were generally higher in the raspberry than in the case of blackberry and raspberry-blackberry hybrid extracts. The antioxidant properties of the extracts were strongly positively correlated with their content of total phenolic (TP). No such relationship was noted for ascorbic acid (AA), whose concentration in all extracts was at a similarly low level. Antioxidant properties determined in vitro were confirmed for the GW extract from raspberry leaf buds in biological test based on the growth parameters of Δsod1 Saccharomyces cerevisiae mutant cells in hypertonic medium. The extracts also exhibited strong antibacterial properties against Staphylococcus aureus and Enterococcus faecalis and weaker against Enterobacter aerogenes. The studied leaf buds could be therefore an unconventional source of minerals, natural antioxidants and antibacterial compounds with potential applications in the food, pharmaceutical, and cosmetics industries.     

Electroinitiated Polymerization of N-Vinylcarbazole by Direct Electron Transfer

Electroinitiated polymerization of N-vinylcarbazole has been accomplished by constant potential electrolysis. It was found that direct electron transfer from the monomer to the anode initiates the polymerization even at a potential as low as +0.95 V versus Ag^?/ Ag⁺. Dichloromethane was used as the solvent, and the electrolyte was tetrabutylammonium fluoroborate. Conversions as high as 86% were reached even when a microelectrode was used. Effects of electrode area, temperature, and electrode potential on polymerization were studied. Percent conversion was followed by cyclic voltammetry.     

Extraction-ability and -selectivity of tetra-aza-crown ethers for transition metal cations

In order to investigate the relative effects of the differences between the structures and lipophilicities of 1, 10-dioxa-4, 7, 13, 16-tetra-azacyclo-octadecane (TA-18-crown-6) and the tetrabenzyl derivative of 1,10-dioxa-4, 7, 13, 16-tetra-azacyclo-octadecane (TBTA-18-crown-6) on their extraction-abilities and -selectivities for transition metal cations, constants of the overall extraction (logK _ex) of 1:1 (M:L) complexes, the distribution (K _D) for two diluents (CH₂Cl₂ and CHCl₃) with different dielectric constants have been determined at 25 ± 0.1 °C. The magnitude of logK _ex is largely determined by that of K _D. The equilibrium constants of TA-18-crown-6 have been compared with those of TBTA-18-crown-6. It is found that:(i) logK _ex sequences of TA-18-crown-6 and TBTA-18-crown-6 for transition metals in CH₂Cl₂ lie in order: Fe³⁺ > Cu²⁺ > Mn²⁺ > Co²⁺ > Cd²⁺ > Ni²⁺ > Zn²⁺ and Fe³⁺ > Cu²⁺ > Co²⁺ > Mn²⁺ > Ni²⁺ > Cd²⁺ > Zn²⁺ respectively; (ii) the stability sequences of two types of tetra-aza-crown ethers with the transition metal cations in CHCl₃ are the same as follows: Fe³⁺ > Ni²⁺ > Cu²⁺ > Co²⁺ > Zn²⁺ > Cd²⁺ > Mn²⁺, and (iii) unusual selectivities are observed for transition metal-tetra-aza-crowns, e.g. the high Fe³⁺/M ⁿ⁺ selectivity factors (S_f) of TA-18-crown-6, except for the competitive-extractions for the special case in CHCl₃ of TBTA-18-crown-6, it was found that the Mn²⁺/M ⁿ⁺ values were relatively higher according to the other transition metal cations. A systematic sequence in these two types of solvents is not found for a given transition metal cation in terms of the variation of selectivity with the tetra-aza-crown ethers. The results provide alternatives for the rational design of other specific ligands on the transition metal cations.     

The chemical synthesis of conductive polyaniline doped with dicarboxylic acids

The chemical polymerization of aniline was carried out in media containing different linear dicarboxylic acids with the use of oxidants such as K₂Cr₂O₇, KMnO₄, K₂S₂O₈, KIO₃ and FeCl₃. The highest yield and the conductivity were observed with K₂Cr₂O₇. The yield and the conductivity of the polyaniline (PAn) synthesized were observed to decrease in the order of oxalic acid > malonic acid > succinic acid > glutaric acid > adipic acid > phthalic acid. The solubility tests carried out in solvents such as DMF, DMSO and NMP showed that the larger the dopant molecule, the higher is the solubility of polyaniline. The PAn synthesized was characterized by measurements of conductivity, intrinsic viscosity, density and FTIR, UV-VIS and TGA techniques.