Diagnosis of OH radical by optical emission spectroscopy in a wire-plate bi-directional pulsed corona discharge

The emission spectrum of the molecule OH (A²Σ→X²Π, 0–0) during a high-voltage, bi-directional pulsed corona discharge consisting of a gas mixture of N₂ and H₂O in a wire-plate reactor has been successfully recorded under severe electromagnetic interference at atmospheric pressure. The relative vibrational populations and the vibrational temperature of N₂ (C, v′) have also been determined. Due to the difficulty of determining the exact overlapping spectral line shape function of the OH (A²Σ→X²Π, 0–0) and the Δv=+1 vibrational transition band of N₂ (C³Π_u→B³Π_g), a practicable Gaussian form is used for calculating the emission intensity of OH (A²Σ→X²Π, 0-0) and the Δv=+1 vibrational transition band of N₂ (C³Π_u→B³Π_g). The emission intensity of OH (A²Σ→X²Π, 0–0) has been evaluated with a satisfactory accuracy by subtracting the emission intensity of the Δv=+1 vibrational transition band of N₂ (C³Π_u→B³Π_g) from the overlapping spectra. The relative population of OH (A²Σ) has been obtained by the emission intensity of OH (A²Σ→X²Π, 0–0) and Einstein's transition probability. The influences of peak voltage, pulse repetition rate and O₂ flow rate on the relative population of OH (A²Σ) radicals have also been investigated. We found that the relative population of OH (A²Σ) rises with an increase in both the peak applied voltage and the pulse repetition rate. When oxygen is added to an N₂ and H₂O gas mixture, the relative population of OH (A²Σ) radicals decreases exponentially with an increase in added oxygen. The main physicochemical processes involved are also discussed in this paper.     

Polarization spectroscopy of Na2 A1Σu+-b3Πu ← X1Σg+ intercombination bands

The A¹Σ_u⁺ ∼ b³Π_u perturbation of Na₂ in several high vibrational levels has been studied by polarization spectroscopy. Deperturbed molecular constants are given for the mutually interacting v_A = 26 ∼ v_b = 28 and v_A = 34 ∼ v_b = 34 vibrational levels.     

PrBa2Cu3O6+x(x=1,0.3)中Pr价态随氧含量的变化

报道了陶瓷和c轴取向薄膜 PrBa₂Cu₃O_6+x(x=1,0.3)材料的红外反射光谱，通过比较区分出该材料的沿着c轴振动和沿着a-b平面振动的声子模，PrBa₂Cu₃O_6+x和RBa₂Cu₃O_6+x(x=1-0,R=Y和稀土元素)有类似的晶体结构，分析和比较它们的声子谱，其中尤其是Pr和Y,Pr和其它稀土元素 关键词：     

Rotational analysis of the A2Πu-X2Πg Second Negative band system of O2+

Existing high-resolution data for the $\text{O}{}_2{}^{\mathrm{+}}\text{A}{}^2\text{Π}{}_{\mathrm{u}}\text{- X}{}^2\text{Π}{}_{\mathrm{g}}$ Second Negative band system have been analyzed using a nonlinear least-squares fit that employs numerically diagonalized Hamiltonians. Values for the full set of molecular constants of the A²Π_u and X²Π_g states are obtained for the first time. In addition to values for ν₀(v′, v″), B_v, and D_v, the values for the spin-orbit coupling constants A_v are determined for both states. For the X²Π_g state, which is near Hund's case (a), the agreement between these A_v″ values and those predicted by theory is good. However, for the A²Π_u state, which is much nearer to case (b), these A_v′ values and theory disagree both in magnitude and in variation with vibrational level. The A²Π_u state is an inverted state for vibrational levels v′ ≤ 5 and is a regular state for levels v′ = 6–8 (the upper limit of present high-resolution data). Λ-doubling parameters are determined for the X²Π_g state, the only state where Λ-doubling is statistically significant. Spin-rotation interaction is not statistically significant for either state. Dunham Y_i0 and Y_i1 expansion coefficients are determined for each state. Theoretical D_v values calculated from RKR potentials are used to improve the B_v values in the reduction of the data.     

Theory of nonstoichiometric ordering of Pb-containing relaxors with perovskite structure

Conditions that are imposed on the interatomic interaction and under which a certain ordered state of AB _x ^′ B _1?x ^″ perovskites arises are determined with allowance for effectively pairwise interactions and the configuration entropy of interchanges of B′ and B″ ions. It is shown that, for the interaction potential u(R) = u ₀/R ⁶, the highest temperature of ordering of the 1: 2 type (T _ord (1: 2)) corresponds to a structure observed at A ≡ Ba. The highest temperature of ordering of the 1: 1 type (T _ord (1: 1)) corresponds to a structure that typically occurs in the case of A ≡ Pb. Within the approximation used, it is found that T _ord (1: 1) > T _ord (1: 2) for all compositions and that the 1: 1-ordered phase is most stable. For models with u(R) = u ₀/R ⁿ (n = 1–6) including the interaction in the first m coordination shells (m = 3, 6, 8, 11), it is shown that the ground state of AB _x ^′ B _1?x ^″ O₃ corresponds either to a decomposed solid solution or to an ordered state similar to that observed in PbMg_1/3Nb_2/5O₃.     

High-resolution Fourier spectrometry of 14N2 infrared emission spectrum: Extensive analysis of the B3Πg-A3Σu+ system

The B³Π_g-A³Σ_u⁺ system of N₂ excited in a microwave discharge was recorded between 3 000 and 18 000 cm^?1 with a high-resolution Fourier spectrometer. There are no observed irregularities in the levels of the A³Σ_u⁺ and B³Π_g states at least for the values of v and J considered here, except the predissociation in the B³Π_g state for v = 12 and J higher than 33. This predissociation will be checked with more complete data in another article. Thirty three bands of the first positive system with 0 ≤ v′ ≤ 12 and 0 ≤ v″ ≤ 8 are analyzed. The molecular parameters of the B³Π_g and A³Σ_u⁺ are obtained by a complete fitting procedure. Derived values of equilibrium constants are deduced; RKR potential energy curves for the two states are constructed, and the Franck-Condon factors calculated for the A-B system.     

Evaluation of optical parameters of some tellurite glasses

Evaluation of optical parameters of tellurite glasses in the form: 80TeO₂-5TiO₂-(15-x) WO₃-xA_nO_m, where xA_nO_m = 0.01, 1, 3, 5 Nb₂O₅ or 0.01, 0.1, 1, 3 Nd₂O₃ or 0.01, 0.1, 1, 3, 5, 7 Er₂O₃ mol% will be carried out. The optical parameters will be focused on calculating molar refractivity, molar polarizability, oxide ion polarizability, molar cation polarizability, optical basicity, metallization and number of polarizable atoms per unit volume for every glass composition in order to interpret the refractive index of these glasses.     

Some ABO3 oxides with defect pyrochlore structure

Studies on the formation, structures and properties of the ternary oxides TlNbO₃, TlTaO₃ and BiVO_3+x occurring in A₂B₂O_7-y defect pyrochlore structure are reported. The reaction of Tl₂ CO₃ with Nb₂O₅/Ta₂O₅ initially leads to the formation of TlNbO_3+x [x ～ 0.3] and TlTaO_3+x [x ～ 0.4]. On further heating, the phases lose oxygen forming TlTaO₃ and TlNbO₃. The occurrence of ABO₃ oxides having Tl⁺, Pb²⁺ or Bi³⁺ as the A cation in defect pyrochlore structure in preference to the perovskite structure is attributed to the formation of a “trap-mediated” A-A bond through 6s² electrons.     

Properties of Dy-doped ZnO nanocrystalline thin films prepared by pulsed laser deposition

Highly transparent conductive Dy₂O₃ doped zinc oxide (ZnO)_1-x(Dy₂O₃)_x nanocrystalline thin films with x from 0.5% to 5% have been deposited on glass substrate by pulsed laser deposition technique. The structural, electrical and optical properties of Dy₂O₃ doped thin films were investigated as a function of the x value. The experimental results show that the Dy concentration in Dy-doped ZnO thin films has a strong influence on the material properties especially electrical properties. The resistivity decreased to a minimum value of 5.02 × 10⁻⁴ Ω cm with x increasing from 0.5% to 1.0%, then significantly increased with the further increasing of x value. On the contrary, the optical direct band gap of the (ZnO)_1-x(Dy₂O₃)_x films first increased, then decreased with x increasing. The average transmission of Dy₂O₃ doped zinc oxide films in the visible range is above 90%.     

The 2ν1, 2ν2 and 2ν3 overtones of FClO3

The infrared spectra of the 2ν₁, 2ν₂ and 2ν₃ overtones of perchloryl fluoride, FClO₃, have been recorded at high resolution using monoisotopic pure samples. Four symmetric top species have been investigated: F³⁵Cl¹⁶O₃, F³⁷Cl¹⁶O₃, F³⁵Cl¹⁸O₃ and F³⁷Cl¹⁸O₃. The v_i = 2, i = 1, 2, 3 vibrationally excited states are totally symmetric, so these overtones correspond to parallel bands of medium/weak intensity, centered from 2010 to 2120 cm⁻¹ (2ν₁), from 1390 to 1430 cm⁻¹ (2ν₂) and from 1070 to 1100 cm⁻¹ (2ν₃). Most of the bands are unperturbed and their analysis was straightforward. The band origins, the rotational and centrifugal molecular constants in the v₁ = 2, v₂ = 2 and v₃ = 2 states have been determined, with standard deviations of the fits from 0.00024 to 0.00067 cm⁻¹. The 2ν₁ overtones of F³⁵Cl¹⁶O₃ and F³⁷Cl¹⁶O₃ are perturbed by an A₁/E Coriolis resonance between the v₁ = 2 state and one E component of the v₄ = 1, v₆ = 2 manifold. The 2ν₂ of F³⁷Cl¹⁸O₃ is perturbed by the same kind of interaction involving the v₁ = v₆ = 1 (E) state, at about 1396 cm⁻¹. In these bands the resonance is localized on rotational levels with specific J and K values. As a consequence, a few transitions of the perpendicular bands involving the interacting levels could be identified in the spectra. A simultaneous fit of the transitions assigned to the dyads has been performed and the parameters of the excited states have been determined, including the high order Coriolis interaction coefficient . The anharmonic constants x₁₁, x₂₂, x₃₃ of all the studied isotopologues of FClO₃, x₄₆ of F³⁵Cl¹⁶O₃, x₄₆ + g₄₆ of F³⁷Cl¹⁶O₃ and x₁₆ of F³⁷Cl¹⁸O₃, have been derived.     

Improving dosimetric properties of tellurite glasses

Thermoluminscence (TL) properties of quaternary tellurite glass in the form 80(TeO₂)–5(TiO₂)–(15−x)(WO₃)–(x)A_nO_m where A_nO_m=Nb₂O₅, Nd₂O₃, Er₂O₃ and x mol% have been measured. TL main dosimetry peak for each produced glass sample were investigated for ⁶⁰Co gamma rays. Dosimetric properties of the quaternary tellurite glasses have been measured as a function of different compositions of the glass system in different rare earth oxides concentration by using thermoluminescence (TL) detection technique.     

Measurement of the spin-structure function g 2 and the semi-inclusive double-spin asymmetries at HERMES

A measurement of the virtual-photon asymmetry A ₂ and of the spin-structure function g ₂ of the proton are presented for the kinematic range of the HERMES experiment carried out at the HERA electron storage ring at DESY. Semi-inclusive longitudinal double-spin asymmetries provide new insight into the valence quark helicity distributions Δu _v and Δd _v.     

Mössbauer studies of multiferroics BiFe<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript> (<Emphasis Type="Italic">x</Emphasis> = 0–0.20)

The Mössbauer studies on ⁵⁷Fe nuclei in multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) have been performed at room temperature. The multiferroics BiFe_{1 – x} Cr _x O₃ (x = 0.05, 0.10, and 0.20) with the rhombohedral R3c structure have been prepared by solid-state synthesis under high pressures. The effect of substitution of Cr cations for Fe cations on the spatial spin-modulated structure, and also hyperfine electrical and magnetic interactions of ⁵⁷Fe nuclei has been studied. The substituted ferrites demonstrate an anharmonic modulated spin structure of cycloid type, in which iron atoms with different cation environments take part. The anharmonism parameter of the cycloid linearly increases from m = 0.10 at x = 0 to m = 0.78 ± 0.02 at x = 0.20. The constants of magnetic uniaxial anisotropy K _u are estimated at room temperature: K _u ≈ 0.36 × 10⁶ erg/cm³ at x = 0 and K _u ≈ 4.22 × 10⁶ erg/cm³ at x = 0.20.     

Deperturbation of the N2+ first negative group B2Σu+-X2Σg+

Twelve bands of the N₂⁺B²Σ_u⁺-X²Σ_g⁺ system, including v_B = 0–6 and v_X = 0–8, are reanalyzed. All effects of B²Σ_u⁺ ～ A²Π_u perturbations are explicitly considered. Despite the use of high precision (0.01 cm^?1) line measurements, no evidence for a perturber other than A²Π_u is obtained. Deperturbed constants for the B²Σ_u⁺ and X²Σ_g⁺ states are derived. The deperturbation is shown to be self-consistent and complete (excluding effects of the C²Σ_u⁺ state) by examining semiempirical relationships of the perturbation matrix elements with the spin-rotation constants of the B and X states and atomic spin-orbit parameters. A number of previous analyses of transitions involving the v_B = 3 and 5 levels are found to be incorrect.     

Synthesis and characterisation of Cr3+-containing NASICON-related phases

Chromium-containing NASICON-related phosphates of the type Na_(1+x)Cr_xM_(2−x)P₃O₁₂) (M = Ti, Hf, Zr) have been synthesised by solid state reaction and structurally characterised by Rietveld refinement of the powder X-ray diffraction data. Materials of composition A_(1+x)/2Cr_xZr_(2−x)P₃O₁₂ (A = Cd, Ca, Sr), have also been prepared and characterised. The crystal structure of Na_(1+x)Cr_xM_(2−x)P₃O₁₂ corresponds to R-3c symmetry for x values ranging from 0.15 to 2.00, whereas compounds of composition A_(1+x)/2Cr_xZr_(2−x)P₃O₁₂ corresponding to R-3c are obtained when x ≤ 1.00 for Sr²⁺ and Ca²⁺, and x ≤ 1.50 for Cd²⁺. The polarizing effect of the two different metal ions A and M on the phosphorus atom and the P–O bond was studied by both ³¹P MAS NMR and infrared spectroscopy and shows that the electron density on the phosphorus, and thus the strength of the P–O bonds, are affected by both the interstitial (A) and the structural (M) metal ions.     

A stochastic derivation of the Sivashinsky equation for the self-turbulent motion of a free particle

Within the framework of the Kershaw approach and of a hypothesis on spatial stochasticity, the relativistic equations of Lehr and Park, Guerra and Ruggiero, and Vigier for stochastic Nelson mechanics are obtained. In our model there is another set of equations of the hydrodynamical type for the drift velocityv _i(x _j,t) and stochastic velocityu _i(x _j,t) of a particle. Taking into account quadratic terms in l, the universal length, we obtain from these equations the Sivashinsky equations forv _i(x _j,t) in the caseu _i →0. In the limit l →0, these equations acquire the Newtonian form.     

Electron-vibrational energy exchange in collisions of electronically excited N2(A 3Σ u + ) molecules with Zn(X 1 S) atoms

The interaction matrix between the N₂ molecule in the X ¹Σ _g ⁺ and A ³Σ _u ⁺ states and the Zn atom in the ¹ S and ³ P states calculated earlier by the asymptotic method was used to find the rate constants for the electron-vibrational energy exchange N₂(A ³Σ _u ⁺ , v) + Zn(¹ S) → N₂(X ¹Σ ₈ ⁺ , v′) + Zn(³ P). The calculations were performed by the transition state method, and the probabilities of transitions between intersecting electron-vibrational terms of the system in motion along the reaction coordinate were determined by the Landau-Zener equation. The calculated electron excitation transfer constants between N₂(A ³Σ _u ⁺ , v = 1, 0) and Zn(¹ S) over the temperature range 300–900 K were on the order of 10^?11?10^?12 cm³/s.     

Predissociation linewidths and oscillator strengths for the (2-0) to (13-0) Schumann-Runge bands of O2

Analysis of the absorption spectrum of O₂ in the Schumann-Runge bands (B³Σ_u^?-X³Σ_g^?) from the 2-0 to the 13-0 band yields oscillator strengths which are in good agreement with past theoretical calculations. Predissociation linewidths deduced from the data tend to be larger than theoretical predictions for v′ ≤ 5 and are reasonably near theory for v′ > 5. The qualitative dependence of the linewidths on vibrational level is in accord with that expected for a repulsive potential intersecting the B³Σ state near v′ = 4. For a given band the predissociation linewidth deduced from the spectra tends to increase as the total angular momentum increases. The new linewidths are smaller than some past experimental results, and this will have an impact on future calculations of the photodissociation rates of O₂, NO, and H₂O in the earth's upper atmosphere.     

Theory of the microstructure of disordered <Emphasis Type="Italic">AA</Emphasis>′BO<Subscript>3</Subscript> and <Emphasis Type="Italic">ABB</Emphasis>′O<Subscript>3</Subscript> perovskite-structure solid solutions

A model is considered in which atoms A and A′ or B and B′ of disordered solid solutions A _x A _1?x ^′ BO₃ and AB _x B _1?x ^′ O₃ are distributed over a regular system of points 1(a) and 1(b) of the symmetry group O _h ¹ characterizing the ideal perovskite structure. The probabilities P(G _i |x) of unit cells having crystal-field symmetry at their center lowered to G _i =T _d , D_3d, C_3v, C_4v, D_2h, C_2v, C _s , or C₂ are calculated as a function of the concentration x. The limits for x in which the Jahn-Teller and/or dipole ordering mechanism is probable are determined. In the approximation taking into account only effective pair interactions, the scattering amplitude F _hkl is found to depend on a single parameter r₀. The theory predicts that the dependence of the intensities of even and odd reflections on sin θ/λ is nonmonotonic and that the distributions of nonuniform strains and of values of the lattice parameters in solid solutions are discrete.