Role of electronic effects in forming the structure of the nitrilotrismethylenephosphonic complexes of 3<Emphasis Type="Italic">d</Emphasis> elements (Cr–Zn)

Two series of nitrilotrismethylenephosphonic complexes of 3d elements, [MII(H₂O)₃{NH(CH₂PO₃H)₃}]_n (M = Cr–Zn) and Na₈[MII{N(CH₂PO₃)₃}]₂ nH₂O (M = Co–Zn), are studied. A comparative analysis of their structural features showed the influence the Jahn–Teller effect has on the formation of the crystal structures, reactive capacities, and anticorrosive activities of these compounds.     

Habit of long-chain molecular crystals

The quantitative analysis of the temperature dependence of the heat capacity of molecular crystals with chains of different lengths was performed using the theory of diffuse first-order phase transitions. The same chemical structure of the “core” of molecular crystals of {CH₃(CH₂)_nCH₃} normal paraffins, {COH(CH₂)_nCOH} diols, {CH₃(CH₂)_nCOH} normal alcohols, and {CH₃(CH₂)_nCOOH} saturated carboxylic and {COOH(CH₂)_nCOOH} dicarboxylic acids enabled the comparative analysis of phase transition parameters.     

Raman Spectra of <Emphasis Type="Italic">n</Emphasis>-Butane,Isobutane, <Emphasis Type="Italic">n</Emphasis>-Pentane,and Isopentane in a Methane Environment

We have studied the particular features of the Raman spectra of gaseous n-butane, isobutane, n-pentane, and isopentane in a methane medium at a pressure of 25 atm. It has been found that, under these conditions, changes in the conformational equilibria of these molecules are negligible, and most significant changes in the spectra are observed in the range of 2850–3000 cm^–1, in which bands corresponding to the stretching vibrations of CH₂ and CH₃ groups shift to lower frequencies. The data obtained will be usefull in determining the composition of natural gas using Raman spectroscopy.     

Synthesis,structure, and optical and photocatalytic properties of quasi-one-dimensional ZnO doped with Со<Subscript>3</Subscript>O<Subscript>4</Subscript> and carbon

One-dimensional nanocomposites Zn_1–x Co _x O_1–y С _у :nCo₃O₄ and solid solutions Zn_1–x Co _x O_1–y С _у , which are promising photocatalysts for the oxidation of toxic organic compounds in visible light, are obtained via the thermolysis of Zn_1–x Co _x (HCOO)(OCH₂CH₂O)_1/2 (0.1 ≤ x ≤ 0.5) precursor in a controlled gaseous atmosphere.     

Optical absorption spectra of boron clusters B<Subscript>n</Subscript> (n = 2–5) for application in nano scintillator – a time dependent density functional theory study

Boron nano-clusters of various shapes and sizes have potential applications asscintillating detector and hydrogen storage material. Using time dependent densityfunctional theory (TDDFT) as implemented in CASIDA we have studied the linear opticalabsorption spectra for boron clusters B_n (n = 2–5) and compared withpreviously reported results using Hatree-Fock (H-F) based method where the spectrum islimited to 8 eV due to exclusion of excitation into very high energy unoccupied orbital.The optical spectra fall in the visible and near UV region and are very much dependent onthe shape of the isomer. We have obtained additional peaks for B₂ linear, B₃ triangular, B₄ rhombus and square shapedisomers beyond 8 eV which were missing in the previous H-F based study and hassignificance as they fall below the ionization potential. We correlate the opticalspectrum with the shape of the Kohn-Sham orbitals and HUMO-LUMO gap and assess comparativestability of various B_n (n = 2–5) clusters in termsof HUMO-LUMO gap, bond-length and relative energy. TDDFT computed optical spectroscopycorrelated with Kohn-Sham orbitals and HUMO-LUMO gap and its comparison with H-F basedmethod may give significant knowledge regarding geometry and optical properties ofB_n (n = 2–5) clusters enablingto distingush between various isomers of B_n clusters.     

Sodium–cesium molybdenum-oxide bronzes

The region of the electrolytic deposition of bialkaline sodium–cesium molybdenum-oxide bronzes is established. A correlation between the nonstoichiometry of bronzes and Mo_nO_3n–x oxides with respect to molybdenum charge density, crystal structure, and type of electrical conduction is found. The importance of the Mo_nO_3n–x homologous series in the formation of the nonstoichiometry of bronzes and their physical properties is shown. The electrophoretic deposition of coatings with binary bronzes for the anticorrosion protection of metals is investigated.     

On correlators for high multiplicity events

We present the results of the study of the energy correlators K₂(n) and K₃(n) and their ratio R₃(n) as a function of the hadron multiplicity at the LHC. The PYTHIA generator has been used. PYTHIA predicts that R₃(n) is not dependent on multiplicity. K₂(n), K₃(n), and the R₃(n) ratio can be studied at ATLAS.     

The effect of impurity on temperature variations in the refractive indices and thickness of TGS crystals

Temperature dependences of optical path difference δΔ_? and the relative changes in thickness δl_?/l of TGS crystals doped with L-valine are studied. Temperature dependences of the relative changes in refractive indices δn_?/(n–1) are calculated. The anisotropy coefficients of refractive indices А_n–1(Т) and linear expansion Аα(Т) are calculated, and a characteristic minimum of these dependences is found near the phase transition temperature.     

Calculation of refractive indices for the (NH<Subscript>2</Subscript>CH<Subscript>2</Subscript>COOH)<Subscript>2</Subscript> · HNO<Subscript>3</Subscript> crystal

The refraction R of the diglycine nitrate (DGN) crystal, (NH₂CH₂COOH)₂ · HNO₃, in the para-and ferroelectric phases has been calculated in the model of noninteracting diatomic chemical bonds of the elementary unit cell of the crystal on the basis of the longitudinal and transversal polarizabilities of these bonds. The calculated magnitudes of the principal refractive indices n _p , n _m , and n _g and the orientations of the optical indicatrix of the crystal agree satisfactorily with experimentally observed values. Introducing the coefficient of Lorenz-Lorentz interaction x into the corresponding formula permits better agreement of the calculated and experimental refractive indices of DGN crystal to be obtained. The temperature changes of these x coefficients upon the ferroelectric phase transition in the DGN crystal have been analyzed.     

Phase Diagrams of Solid Solutions of Relaxor Ferroelectrics from the Dielectric Spectroscopy Data

The dielectric spectra of Pb(_1–z)Ba _z (Mg_1/3Nb_2/3) _m (Zn_1/3Nb_2/3) _y (Ni_1/3Nb_2/3) _n TixO₃ (x = 0.25–0.4, y = 0.1130–0.0842, m = 0.4844–0.1298, n = 0.1266–0.4726, z = 0–0.15) ceramics with substitution in both A and B crystallographic positions of the perovskite structure are studied. The system demonstrates a transition from the relaxor state to the normal ferroelectric state in both cases: when the concentration of lead titanate grows and the concentration of barium is reduced. On the basis of experimental results, the x–T and z–T phase diagrams are plotted. Despite different crystal chemical reasons of the relaxor state emergence in the investigated solid solutions, their diagrams demonstrate an evident similarity. We have revealed the disappearance of the temperature hysteresis at the transition to the relaxor state in both cases, which has allowed us to make an assumption of the existence of tricritical points on the corresponding diagrams.     

Der Zerfall des Tb158m

Tb^158m was produced from Tb¹⁵⁹ by (n, 2n) reaction and investigated using scintillation spectrometers. The following results were obtained: half-life\(T_{\tfrac{1}{2}} = (10.5 \pm 0.2)\) sec; energy of the isomeric transitionE _γ =(109.9±1.4) keV; conversion coefficients α _K =56±3; α _L +α _M +?=50±8; α_total=106±10;K/L-ratioK/L=1.3±0.3, yielding the multipole order of the isomeric transition to beM3. Upper limits for the direct beta transitions from the isomeric state to the ground states of the neighbouring even-even nuclei Gd¹⁵⁸ and Dy¹⁵⁸ are 10^?4 and 6·10^?3, respectively.     

X-ray study of [N(CH<Subscript>3</Subscript>)<Subscript>4</Subscript>]<Subscript>2</Subscript>ZnCl<Subscript>4</Subscript> at low temperatures

The unit cell parameters a, b, and c of [N(CH₃)₄]₂ZnCl₄ have been measured by x-ray diffraction in the temperature range 80–293 K. Temperature dependences of the thermal expansion coefficients α_a, α_b, and α_c along the principal crystallographic axes and of the unit cell thermal expansion coefficient α_V were determined. It is shown that the a=f(T), b=f(T), and c=f(T) curves exhibit anomalies in the form of jumps at phase transition temperatures T₁=161 K and T₂=181 K and that the phase transition occurring at T₃=276 K manifests itself in the a=f(T) and b=f(T) curves as a break. A slight anisotropy in the coefficient of thermal expansion of the crystal was revealed. The phase transitions occurring at T₁=161 K and T₂=181 K in [N(CH₃)₄]₂ZnCl₄ were established to be first-order.     

Untersuchungen zur Mehrfach-Emission von Sekundärelektronen

CuBe- and NaCl-targets are bombarded by single electrons (100–600 eV). The secondary electrons accelerated by 40 kV strike the crystal of a scintillation counter, backed by a multichannel analyser. The probabilityP _n of emission ofn=0, 1, 2, 3, ... secondaries can be found from the pulse height distribution. The probability distributionP _n =f(n) shows a characteristic deviation from aPoisson's distribution. There was no evidence that there is a preference for even numbers ofn as found byBarrington andAnderson.     

Coulomb deexcitation of muonic hydrogen within the quantum close-coupling method

The Coulomb deexcitation of muonic hydrogen in collisions with the hydrogen atom has been studied in the framework of the fully quantum-mechanical close-coupling method for the first time. The calculations of the l-averaged cross sections of the Coulomb deexcitation are performed for (μp)_n and (μd)_n atoms in the initial states with the principal quantum number n = 3–9 and at relative energies E = 0.1–100 eV. The obtained results for the n and E dependences of the Coulomb deexcitation cross sections drastically differ from the semiclassical results. An important contribution of the transitions with Δn > 1 to the total Coulomb deexcitation cross sections (up to ～37%) is predicted.     

Diffraction spectra of order–order transition structural states in titanium monoxide

A new class of M_(n?i)X_(n?i) superstructures (n is an integer constant and i is a rational variable) that are formed after incomplete equilibrium second-order order–order phase transitions in solid solutions and in compounds with atom–vacancy ordering is proposed. New superstructures are superpositions of partially disordered M _n ?X _n superstructures of various symmetries in the matrix of the basic crystal structure. The model parameters affecting the positions and intensities of superstructure reflections on diffraction patterns have been studied by example of the high-temperature ordered phase β-TiO of titanium monoxide. It has been shown that the diffraction spectra of the low-symmetric M_(5-i)X_(5-i) superstructure (space group P1m1) and the high-symmetric M₅X₅ superstructure (space group Pm3?m) at certain parameters are identical in the positions of superstructure reflections.     

Spin observables in <Emphasis Type="Italic">np</Emphasis> elastic scattering in the energy range 200–600 MeV. Complete experiment

A survey of available experimental data on the measurement of spin observables in neutron-proton (np) elastic scattering in the neutron energy range 200–600 MeV is presented. Sixteen spin observables (the polarization of recoil particles P _0n00, the analyzing power A _00n0, the spin correlation parameters A _00nn , A _00ss , A _00sk , and A _00kk , the spin transfer parameters K _0nn0, K _0ss0, and K _0sk0, the depolarization parameters D _0n0n , D _0s0s , and D _0s0k , and the three-spin parameters N _0nkk , N _0skn , N _0ssn , and N _0sns for energies of 200–590 MeV and scattering angles in the center of mass system of 60°–164°) were studied in experiments using polarized neutron beams and polarized proton targets at the Paul Scherrer Institute. The results of these investigations present a complete set of precision data on np elastic scattering which, along with the complete set of data for proton-proton (pp) elastic scattering obtained earlier, provides a basis for unambiguous determination of the amplitudes of the scattering matrix for nucleon-nucleon (NN) elastic scattering for the channel with the isotopic spin I = 0 and makes it possible to describe NN interaction in a model-independent way.     

Mean-square displacements of metal and boron atoms in crystal lattices of rare-earth hexaborides

The intensities of the I₄₁₀ and I₄₁₁ reflections of nine rare-earth hexaborides MB₆ (M=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) are experimentally studied in the temperature range 4.2–300 K. The mean-square displacements of metal and boron atoms are calculated from the temperature dependences of the intensities I₄₁₀(T) and I₄₁₁(T). The characteristic temperatures of the metal (θ_M) and boron (θ_B) sublattices of rare-earth hexaborides are determined in the Debye approximation. It is found that the characteristic temperatures decrease with an increase in the atomic number of the metal.     

Cross sections of electron capture by Boron ions in gaseous media

We study the cross sections σ_{i, i?1}, σ_{i, i?2}, and σ _{i, i?3} of capture of one, two, and three electrons by boron ions with charges i=1?5 and velocities V=(1.83?5.50)V₀ in gaseous media with atomic numbers Z_t varying from 1 to 54. The oscillatory form of the Z_t dependence of electron capture cross section by boron ions, which has been established for lighter ions, is confirmed.     

Raman spectroscopy of crystalline,glassy, and molten states of lead diborate

Polarized Raman spectra of single crystals of lead diborate, PbB₄O₇ (PBO), are studied in detail at 300 K. The TO-, LO-, and IO-phonon lines of the A ₁, A ₂, B ₁, and B ₂ symmetries in the Raman spectra of this compound are assigned. Changes in the Raman spectra of the internal vibrations of boron–oxygen complexes upon transition from the crystalline to the glassy and the molten states of PBO are observed. On the basis of the obtained results, the regularities in the formation of boron–oxygen complexes in glasses, melts, and crystals of the PbO · 2B₂O₃, SrO · 2B₂O₃, and Li₂O · 2B₂O₃. diborate compositions are analyzed.     

Cross sections of the photoneutron reaction for <Superscript>141</Superscript>Pr and <Superscript>186</Superscript>W nuclei,estimated from physical criteria of data reliability

Using objective physical criteria for data reliability, cross sections of partial photoneutron reactions (γ, 1n), (γ, 2n) and (γ, 3n) that are free of the shortcomings of neutron multiplicity sorting methods used on beams of quasimonoenergetic annihilation photons are obtained for ¹⁴¹Pr and ¹⁸⁶W nuclei. Evaluation is performed using the experimental–theoretical method (ETM), based on the experimental cross section of neutron yield reaction σ^exp(γ, xn) = σ^exp(γ, 1n) + 2 σ^exp(γ, 2ⁿ) + 3 σexp(γ, 3n) + … and ratios F _i ^theor= σ^theor(γ, in)/σ^theor(γ, xn) calculated within the combined model (CM) of photonuclear reactions, which stipulates that σ^eval(γ, in) = F _i ^theor σ^exp(γ, xn). It is found that for ¹⁴¹Pr and ¹⁸⁶W, ratios F ^exp _i do not contradict the data reliability criteria only at energies up to ~21 and ~22 MeV, respectively. At the same time, there are notable discrepancies between F _i ^theor and F ^exp _i, and thus between the evaluated and experimental cross sections of reactions. It is shown that the discrepancies between the evaluated and experimental cross sections are due to the assumed unreliable experimental distribution of neutrons in the channels with multiplicities 1, 2, and 3.