Dynamics in molecular crystals: An application of proton NMR to selectively protonated biphenyl. Do the rings flip together or independently?

The synthesis of a specific isotopomer, C₆D₄H(ortho)-H(ortho)D₄C₆ of biphenyl is reported. The intramolecular dipolar coupling of the protons leads to a well-resolved single-crystal proton nuclear magnetic resonance (NMR) spectrum and allows one to study the dynamics of the phenyl rings in a unique way. At room temperature and above, the most conspicuous dynamical mode consists of 180° ring flips. The present data together with previous measurements of the total flip rate allow us to conclude that the rings flip almost exclusively independently of each other. Between the incommensurate (IC) phase transition of biphenyl at 38 K andT=250 K, the prominent namical mode consists of oscillatory twists ϕ(t) of the two rings. The data allow us to infer the mean square, (φ²), of these twists. (φ²) is found to grow linearly withT for 50<T<200 K. From the slope of (φ²) vs.T the frequency (the wave number[(v)\tilde]\tilde v) is derived. The result is[(v)\tilde] = 20\tilde v = 20 cm⁻¹. ForT<38 K, the spectra give direct evidence of the IC phase transition and its nature (stripelike rather than quiltlike). The temperature dependence of the magnitude of the order parameter of the IC phase is obtained.     

直径不超过4的树的割宽

§ 1　IntroductionThe cutwidth problem for graphs,as well as a class of optimal labeling and embed-ding problems,have significant applications in VLSI designs,network communicationsand other areas (see [2 ] ) .We shall follow the graph-theoretic terminology and notation of [1 ] .Let G=(V,E)be a simple graph with vertex set V,| V| =n,and edge set E.A labeling of G is a bijec-tion f:V→ { 1 ,2 ,...,n} ,which can by regarded as an embedding of G into a path Pn.Fora given labeling f of G,th…     

Energy spectrum of <Emphasis Type="Italic">p</Emphasis> electrons in a plane crystal lattice and in a strong magnetic field

Harper equations are derived for a _px, _py electronic system. Analysis is carried out for extreme points of the quasi-continuous spectrum in the cases when the number of magnetic flux quanta through a unit cell is a rational number and calculations are made for square and triangular lattices as well as for a honeycomb lattice with two nonequivalent atoms. The possibility of application of the results for explaining the fractional Hall effect is considered.     

Effect of maltodextrins on the surface activity of small-molecule surfactants

We report on the effect of commercially important polysaccharides (maltodextrins with variable dextrose equivalent (Paselli SA-2, MD-6 and MD-10) on the surface activity at the air–water interface of small-molecule surfactants (sms), possessing different hydrophobic–lipophilic balance ((SSL (Na⁺), the main component is a sodium salt of stearol–lactoyl lactic acid, and PGE (080), polyglycerol ester of C18 fatty acid), and widely used in food products. A marked change of the surface activity of sms was found in the presence of maltodextrins by tensiometry. The combined data of laser multiangle light scattering and mixing calorimetry have suggested that this result is governed by specific complex formation between maltodextrins and sms in aqueous medium. Measurements have been made of the molar mass, the second virial coefficient and the enthalpy of intermolecular interactions in aqueous solutions. The implication of a degree of polymerization of maltodextrins in this phenomenon was shown. The interrelation between the molecular parameters of the formed complexes and their surface activity at the air–water interface has been revealed and discussed.     

Longwave Marangoni convection in an inhomogeneously heated liquid

The supercritical Marangoni convection has been studied in a plane-parallel liquid layer, bounded by a free deformable gas-liquid interface from above and by a low-heat-conductivity wall from below, occurring under conditions of inhomogeneous heating in the horizontal plane. In a longwave approximation with a small inhomogeneity of heat flux, the process is described by a system of two-dimensional nonlinear equations for the temperature perturbations, vorticity, and free surface deformation. The concept of quasiequilibrium, implying stability of long-range flows, is introduced, which allows the inhomogeneous heat flux to be modeled by a step function. The linear stability is analyzed in the cases of planar and axisymmetric heat fluxes. The boundaries of stability of the convection regimes are determined on the plane of parameters characterizing the degree of supercriticity inside a heated spot and the depth of damping outside the spot. For an axisymmetric spot, the domains of stability with respect to perturbations for various azimuthal numbers are established.     

Temperature dependences of the low-frequency internal friction and shear modulus in a bulk amorphous alloy

The logarithmic decrement and shear modulus of a bulk amorphous Zr_52.5Ti₅Cu_17.9Ni_14.6Al₁₀ alloy were studied with an inverse torsion pendulum in the range from room temperature to the crystallization temperature and in the frequency range 5–40 Hz. The activation energy spectra of reversible and irreversible structural relaxation were estimated. The results obtained are discussed in the context of a two-energy-level model.     

Methodological reflections on a three-step-design combining observation,stimulated recall and interview

In this paper a tripartite qualitative design combining abservation, stimulated recall and interview is presented and discussed. This three-step-design makes it possible to get insight into the interaction of internal and external processes when solving mathematical tasks. The data analysis depends on the research question and the methodological approach. In the light of two research projects in mathematics education two different methods of data analysis are presented and methodologically reflected.     

Core-shell structure in fullerene-containing molecular complexes

A shell model that describes the formation of molecular complexes around a C₆₀ molecule upon the solid-phase interaction of the powders is considered. From the absorption spectra, it follows that a reacting particle is a fullerene dimer.