Determinants and characteristic polynomials

The supersymmetric model in one dimension is used to calculate the fermion and scalar determinants in constant fields and express them in terms of the characteristic polynomials appearing in anomalies and index theorems. The operator determinants are transformed into those of a matrix.     

Structure and properties of nonclassical polymers

Utilizing an extended Hubbard-type Hamiltonian which incorporates both nearest-neighbour Coulomb repulsion and exchange interactions, we have studied the energy dispersion of the lowest elementary excitation from the ferromagnetically aligned state of quasi one-dimensional alternant hydrocarbon networks. It was found that the main effect of the long range Coulomb interaction may be thought of as a renormalization (screening) of the on-site Hubbard integral. This implies an enhancement of the kinetic exchange term and impairs the stability of the ferromagnetic state towards single spin inversions. However, for physically relevant values of the parameters entering the model Hamiltonian, the collective spin excitation represents a magnon, whose energy band lies above the reference value pertaining to the magnetically saturated configuration.Dedicated to Prof. Dr. Adolf Neckel on the occasion of his 60th birthday     

Liquid chromatography of platinum metals and prospects of development

Summary A survey of the authors' work on liquid chromatography of platinum metals in the form of chelates with 1-(2-pyridylazo)-2-naphthol (PAN) is given. Extraction chromatography with PAN in isopentanol as a stationary phase was used to achieve a group concentration of these metals (Pd, Pt and Rh, concentration coefficient 100) from large volumes of aqueous solutions and a selective extraction of palladium from solutions containing other platinum, nonferrous and heavy metals on a 85–98° C thermostatted chromatographic column. The prospects for the use of liquid chromatography in the analysis of platinum metals are discussed.

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Flüssig-Chromatographie von Platinmetallen und zukünftige Entwicklungen

     

Ion-induced CO adsorption on polycrystalline nickel. Secondary ion mass spectrometry study

In the process of ion-induced CO adsorption (Ar⁺, 4 keV, 4 A/cm²) on polycrystalline Ni at room temperature and P=(1–40)×10^–6 Pa the emission of Ni⁺, NiCO⁺, CO⁺, NiO⁺ and C⁺ ions is observed. The emission of the last three ions is due to the ion-stimulated dissociation of weakly bound CO state and NiO formation. The weakly bound state is formed owing to surface defects produced by ion bombardment. The cross sections of the ion-induced desorption are 1.8 and 0.8×10^–14 cm², respectively, for weakly bound and strongly bound states.     

Proton Relaxometry of Long-Lived Spin Order

A study of long-lived spin order in chlorothiophene carboxylates at both high and low magnetic fields is presented. Careful sample preparation (removal of dissolved oxygen in solution, chelating of paramagnetic impurities, reduction of convection) allows one to obtain very long-lived singlet order of the two coupled protons in chlorothiophene derivatives, having lifetimes of about 130 s in D₂O and 240 s in deuterated methanol, which are much longer than the T₁-relaxation times (18 and 30 s, respectively, at a field =9.4 T). In protonated solvents the relaxation times become shorter, but the lifetime is still substantially longer than . In addition, long-lived coherences are shown to have lifetimes as long as 30 s. Thiophene derivatives can be used as molecular tags to study slow transport, slow dynamics and slow chemical processes, as has been shown in recent years.     

Asymptotics of many-electron wavefunctions and calculation of tunnel transitions

A new method for defining the wavefunction asymptotics for many-electron systems in the far-subbarrier region is suggested. The method is based on the Lippman-Schwinger formalism and can provide an accuracy in defining the asymptotics similar to that in the main region of the electron localization (MREL). The wavefunctions in MREL are the basis for obtaining the asymptotics. Molecular, cluster and surface systems are considered. A new approach to the calculation of tunneling transitions is formulated. A general expression for the tunneling current in scanning tunneling microscopy (STM) is obtained which strictly takes into account the penetration factor, the correlation between the tunneling current from individual atoms, and the angular dependence of asymptotics of basic atomic functions. This permits us to state and correctly solve the problem of defining the electron wavefunctions of the surface using the data of the tunneling current measurement at various biases and the positions of the tip.     

The Reaction of Maleic and Phthalic Anhydrides with 2-Methylimidazole

The reaction of maleic anhydride with 2-methylimidazole in acetonitrile and DMF is accompanied by the appearance of strong absorption bands in the visible part of the spectrum due to the formation of molecular complexes. In acetonitrile the reaction proceeds by two routes via the formation of an amide and the molecular complex. Phthalic anhydride reacts with 2-methylimidazole to give amide but not to form molecular complexes.     

Volumetric properties of H2O, D2O, and methanol in acetonitrile at 278.15—318.15 K

The densities of H₂O, D₂O, and MeOH solutions in acetonitrile with the solute concentrations up to 0.07 molar fractions at 278.15, 288.15, 298.15, 308.15, and 318.15 K were measured using vibrating-tube densimetry with an error 8·10^–6 g cm^–3. The limiting partial molar volumes for the H/D isotopomers of water and IaII in acetonitrile (V^– ₂ ) and the isotope effects in V^– ₂ and in excess molar volumes of acetonitrile—water mixtures were calculated. Molecules of H₂O, D₂O, and IaII form associates with acetonitrile molecules via hydrogen bonds. The associates have the packing volumes close to those in the individual solute. The water and methanol molecules were assumed to be incorporated into the acetonitrile structure without substantial changes in the latter. However, this process results in some compression of the system with a simultaneous increase in its expansibility.     

Computational study on the ring distortions of 1,4-dicyanobenzene in the gas phase and in the crystal

A molecular mechanics software enhanced to perform empirical energy calculations on crystals (KESSHOU) was further developed to handle intermolecular electrostatic interactions as well. The packing of the molecules of 1,4-dicyanobenzene and 1,4-diisocyanobenzene in the crystal was studied. The role of the van der Waals and the electrostatic interactions in the balance of nonbonded atom-atom interactions is analyzed. The packing forces are dominated by van der Waals forces. The electrostatic interactions have higher stabilizing contribution for the dicyano isomer than for the diisocyano form. The dependence of the results on the size of the crystal, the molecular mechanics force field (MM2 vs MM3), and the dielectric constant are also assessed. Ab initio MP2/6–311G** geometries of the isolated molecules are in accordance with the observed benzene ring distortions determined by electron diffraction.