Electroweak tests with τ leptons at LEP

We report on two sensitive tests of lepton universality carried out by the 4 LEP experiments at the Z⁰ pole. From measurements of the τ polarization in e⁺ e^?→τ ⁺ τ ^?, the ratios of the vector and axial vector coupling constants of the electron and the tau lepton to the weak neutral current are obtained to beg _{v e} /g _{a e} =0.066±0.015 andg _{V τ} /g _{A τ} =0.070±0.009 respectively. From measurement of the τ lifetime and the τ leptonic branching ratios, the ratio of the coupling constants describing weak leptonic decays of the τ and the μ is measured to beG _τ /G _μ =0.996±0.008.     

Standard<Emphasis Type="Italic">SU</Emphasis>(5) supergravity grand unification model and predictions

A review is given of the StandardSU(5) supergravity model. This model has passed an important check regarding unification of the electro-weak and the strong couplings using high precision LEP data. It is shown that for a significant domain of the parameter space the model also satisfies constraints on the SUSY spectrum from CDF and LEP, as well as proton stability and cosmological relic density constraints.     

Di-2-pyridylketone semicarbazone as ligand in metal complexes: synthesis and X-ray crystal structure

A series of complexes of di-2-pyridylketone semicarbazone (Hdips) and Mn(II), Co(II), Co(III), Ni(II) and Cu(II) nitrates were synthesized and characterized by means of IR spectroscopy and for cobalt and nickel by X-ray crystal structures. The results are in agreement with the formulae: Mn(Hdips)₂(NO₃)₂·2H₂O, [Co(Hdips)₂](NO₃)₂·H₂O (I), [Ni(Hdips)₂](NO₃)₂·H₂O (II), Cu(Hdips)(NO₃)₂·2H₂O, [Co(dips)₂](NO₃)·2H₂O (III). The structure of I and II are monoclinic, space groupP2₁/c, with, I,a=15.980(4),b=11.531(2),c=16.170(2)Å;=104.20(2)°,Z=4,R=0.032; II,a=16.109(5),b=11.480(3),c=16.135(6)Å;=104.15(2)°,Z=4,R=0.069. Compound III is also monoclinic, space groupP2₁/c witha=12.173(5),b=15.619(5),c=15.338(8)Å;=111.40(4)°,Z=4,R=0.059. In these complexes the ligand is tridentate via carbonylic oxygen, semicarbazone and pyridine nitrogens forming each two five membered chelate rings with the metal in a distorted octahedral geometry.     

Reactivity and structure of the 5-dehydro-m-xylylene anion

The electronic structure of dehydro-m-xylylene anion (DMX-) has been investigated by using chemical reactivity studies and electronic structure calculations. DMX- has been generated in the gas phase via the sequential reaction of trimethyl-3,5-bis(trimethylsilylmethyl)phenylsilane with F- and two molecules of F2. Reactivity and thermochemical properties of the ion indicate a phenyl-like anion (1a), consistent with theoretical predictions. Density functional calculations predict a nonplanar triplet anion, with an allenic singlet anion slightly higher in energy. The driving force for the out-of-plane distortion is more efficient charge delocalization that is achieved at lower symmetry.     

Double photoionisation spectra of small molecules and a new empirical rule for double ionisation energies

Complete double photoelectron spectra are presented for 18 small molecules where the location of charges in the cations and dications is relatively clearly defined. The data demonstrate the importance of a coulombic repulsion contribution to the double ionisation energies. Examination of data for a wide range of molecules leads to a new empirical rule to calculate double ionisation energies from the molecules’ single ionisation energies and maximum dimensions. Where single and double ionisation energies are known the rule allows the deduction of plausible intercharge distances.     

Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem

The extended Koopmans’ theorem is related to Fukui function, which measures the change in electron density that accompanies electron attachment and removal. Two approaches are used, one based on the extended Koopmans’ theorem differential equation and the other based directly on the expression of the ionized wave function from the extended Koopmans’ theorem. It is observed that the Fukui function for electron removal can be modeled as the square of the first Dyson orbital, plus corrections. The possibility of useful generalizations to the extended Koopmans’ theorem is considered; some of these extensions give approximations, or even exact expressions, for the Fukui function for electron attachment.     

Repeat Space Theory Applied to Carbon Nanotubes and Related Molecular Networks. I

The present article is the first part of a series devoted to extending the Repeat Space Theory (RST) to apply to carbon nanotubes and related molecular networks. Four key problems are formulated whose affirmative solutions imply the formation of the initial investigative bridge between the research field of nanotubes and that of the additivity and other network problems studied and solved by using the RST. All of these four problems are solved affirmatively by using tools from the RST. The Piecewise Monotone Lemmas (PMLs) are cornerstones of the proof of the Fukui conjecture concerning the additivity problems of hydrocarbons. The solution of the fourth problem gives a generalized analytical formula of the pi-electron energy band curves of nanotube (a, b), with two new complex parameters c and d. These two parameters bring forth a broad class of analytic curves to which the PMLs and associated theoretical devices apply. Based on the above affirmative solutions of the problems, a central theorem in the RST, called the asymptotic linearity theorem (ALT) has been applied to nanotubes and monocyclic polyenes. Analytical formulae derived in this application of the ALT illuminate in a new global context (i) the conductivity of nanotubes and (ii) the aromaticity of monocyclic polyenes; moreover an analytical formula obtained by using the ALT provides a fresh insight into Hückel’s (4n+2) rule. The present article forms a foundation of the forthcoming articles in this series. The present series of articles is closely associated with the series of articles entitled ‘Proof of the Fukui conjecture via resolution of singularities and related methods’ published in the JOMC.     

A simple and very sensitive spectrophotometric method for the direct determination of copper ions

A sensitive spectrophotometric method for the direct determination of copper in aqueous samples without a preconcentration step has been developed. It is based on the formation of a yellow complex with the chromogenic reagent di-2-pyridyl ketone benzoylhydrazone (dPKBH) in an alkaline medium. The complex stoichiometry was 1:2 (Cu:dPKBH) and presents maximum absorbance at 370 nm. The influence of chemical variables affecting the behaviour of the system such as pH, concentration of dPKBH, buffer solution and ethanol, order of addition of the reagents and stability of the complex, were evaluated. The molar absorptivity (epsilon) was 3.92x10(4) L mol(-1) cm(-1), and Beer's law was obeyed up to 3 mg L(-1) of copper. The relative standard deviation was 0.46% (n=11) for a sample containing 1 mg L(-1) Cu(II). The limit of detection was 2.5 micro g L(-1) and was therefore more sensitive than the direct methods reported previously. Finally, the method was successfully validated by analysing several real samples with different matrices, such as tap water, natural water or copper alloys, with an average relative error of 2.46%.     

Thermal and mechanical-induced phase transformations during YAG and alumina–YAG syntheses

The preparation of pure Y₃Al₅O₁₂ (YAG) and 50 vol% Al₂O₃–YAG composite powders by a wet chemical route is presented. The role of the synthesis temperature during reverse-strike precipitation has been investigated, showing its relevant effect on the purity and homogeneity of YAG powder. The composite material was prepared by comparing two different synthesis routes. A composite powder was synthesized via reverse-strike temperature-controlled co-precipitation. In the latter case, a pure-alumina precursor was firstly reverse-strike precipitated and then doped with an yttrium salt solution. For both syntheses, the role of thermal and mechanical pre-treatments on the phase development was demonstrated.     

Additional peaks in the cluster size distribution of amphiphile + water systems: a clue for shape/phase transition or statistical uncertainty

In some works on the lattice Monte Carlo simulation of amphiphilic systems additional peaks in the cluster size distribution has been interpreted as a clue for the phase or shape transition of micellar aggregates. On the other hand, some other works showed that the additional peaks are a result of finite size of the lattice box. In this paper using calculating energy-auto-correlation function and statistical error in correlated data, it is shown that how these apparently contradictory results are the same. To do this, we have simulated a pure system containing amphiphile and water molecules. A simple model of potential containing the main feature for these systems (the hydrophobicity of surfactant molecules) that cause the aggregates to be formed is considered to avoid any synthetic results due to additional non-real parameters. To relax the initial configuration faster, configurational bias Monte Carlo move is used in addition to reptation move. Periodic boundary condition and self-avoiding walks are used as former published works in this field. It is shown that the additional peaks is a result of the statistical errors for averaged cluster size distribution and can not be interpreted as a clue for shape or phase transition.