Crystal structure of mixed rubidium–ammonium hydrogen sulfate Rb0.7(NH4)0.3HSO4 at room temperature

The structure of Rb_0.7(NH₄)_0.3HSO₄ has been determined by X-ray analysis. The mixed compound crystallizes in the monoclinic space group P2₁/n with unit cell parameters a = 14.374(6) Å, b = 4.618(6) Å, c = 14.412(2) Å, = 118.03(2)°, V = 844.4(4) ų, and D _cal = 1.536 g cm^–3 for Z = 8. The mixed compound Rb_0.7(NH₄)_0.3HSO₄ is a chain-based structure. The Rb⁺ and NH₄ ⁺ cations are intercalated between chains, formed of HSO₄ ^- groups linked with OHO hydrogen-bonding. Rb_0.7(NH₄)_0.3HSO₄ presents a new type of structural arrangement different from those of pure RbHSO₄ and NH₄HSO₄.     

Structural, vibrational and dielectric properties of new potassium hydrogen sulfate arsenate: K4(SO4)(HSO4)2(H3AsO4)

A new compound, K₄(SO₄)(HSO₄)₂(H₃AsO₄) was synthesized from water solution of KHSO₄/K₃H(SO₄)₂/H₃AsO₄. This compound crystallizes in the triclinic system with space group P1¯ and cell parameters: a=8.9076(2) Å, b=10.1258(2) Å, c=10.6785(3) Å; α=72.5250(14)°, β=66.3990(13)°, γ=65.5159(13)°, V=792.74(3) Å³, Z=2 and ρ_cal=2.466 g cm⁻³. The refinement of 3760 observed reflections (I>2σ(I)) leads to R₁=0.0394 and wR₂=0.0755. The structure is characterized by SO₄²⁻, HSO₄⁻ and H₃AsO₄ tetrahedra connected by hydrogen bridge to form two types of dimer (H(16)S(3)O₄⁻?S(1)O₄²⁻ and H(12)S(2)O₄⁻?H₃AsO₄). These dimers are interconnected along the [1¯ 1 0] direction by the hydrogen bonds O(3)-H(3)?O(6). They are also linked by the hydrogen bridge assured by the hydrogen atoms H(2), H(3) and H(4) of the H₃AsO₄ group to build the chain S(1)O₄?H₃AsO₄ which are parallel to the “a” direction. The potassium cations are coordinated by eight oxygen atoms with K-O distance ranging from 2.678(2) to 3.354(2) Å.Crystals of K₄(SO₄)(HSO₄)₂(H₃AsO₄) undergo one endothermic peak at 436 K. This transition detected by differential scanning calorimetry (DSC) is also analyzed by dielectric and conductivity measurements using the impedance spectroscopy techniques. The obtained results show that this transition is protonic by nature.     

Quantification of hydrogen peroxide during the low-temperature oxidation of alkanes

The first reliable quantification of hydrogen peroxide (H(2)O(2)) formed during the low-temperature oxidation of an organic compound has been achieved thanks to a new system that couples a jet stirred reactor to a detection by continuous wave cavity ring-down spectroscopy (cw-CRDS) in the near-infrared. The quantification of this key compound for hydrocarbon low-temperature oxidation regime has been obtained under conditions close to those actually observed before the autoignition. The studied hydrocarbon was n-butane, the smallest alkane which has an oxidation behavior close to that of the species present in gasoline and diesel fuels.     

AC electrical properties of the mixed crystal (NH4)3H(SO4)1.42(SeO4)0.58

The frequency dependence of the AC conductivity of (NH₄)₃H(SO₄)_1.42(SeO₄)_0.58 (NHSSe) has been presented in the temperature range (299-393 K). The conductivity data has been analysed in terms of two theoretical models: hopping over a potential barrier model and quantum-tunnelling model. Values of the exponent s, decrease from 1.08 to 0.91 with increasing temperature and the experimental data revel that the hopping model is the rate determining mechanism.     

Synthesis,Crystal Structure,and Characterization of A New Adduct Bis-(2-Amino-3-Benzyloxypyridinium) Selenate Monohydrate [C12H13N2O]2SeO4.H2O

Abstract

A new adduct bis-(2-amino-3-benzyloxypyridinium) selenate monohydrate, [C₁₂H₁₃N₂O]₂SeO₄.H₂O, has been synthesized by slow evaporation at room temperature using 2-amino-3-benzyloxypyridine as the structure-directing agent. The structure, determined by single-crystal X-ray diffraction at 298 K, can be described as organic-inorganic tunnels with different forms built by infinite inorganic chains parallel to the c axis and connected to the organic cations. In this atomic arrangement, hydrogen bonds and van der Waals interactions between the different species play an important role in the tri-dimensional network cohesion. Solid-state ¹³C and ⁷⁷Se MAS NMR spectroscopy results are in agreement with the X-ray structure.

[Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures and tables.]     

Structural Characterization,Vibrational Studies and Electrical Properties of 2-Amino-3-benzyloxy Pyridinium Perchlorate

A title organic-inorganic hybrid material 2-amino-3-benzyloxy pyridinium perchlorate was synthesized by slow evaporation at room temperature using 2-amino-3-benzyloxypyridine as the structure-directing agent. The structure of the title compound was determined by means of single-crystal X-ray diffraction at 293 K. The results show that this compound crystallizes in the centrosymetric monoclinic system with a space group of P2₁/n and lattice parameters of a=0.7025(5) nm, b=1.2635(5) nm, c=1.5766(5) nm, Z=4 and V=1.3905(2) nm³. The crystal structure has been determined and refined to R₁=0.0367 and wR₂=0.1022 using 2326 independent reflections and can be described as a succession of organic and inorganic layers parallel to the bc plane. In this arrangement, hydrogen bonds and van der Waals interactions between different species play an important role in the two-dimensional(2D) network cohesion. This compound was also characterized by means of infrared spectroscopy, Raman spectroscopy and thermogravimetric analysis-differential thermal analysis(TG-DTA). Moreover, protonic conduction of this compound determined by an impedance analyzer has been studied in the temperature range of 303-373 K.     

A numerical study of non-isothermal turbulent coaxial jets

In this work, we propose to study non isothermal air–air coaxial jets with two different approaches: parabolic and elliptic approaches. The standard k−ε model and the RSM model were applied in this study. The numerical resolution of the equations governing this flow type was carried out for: the parabolic approach, by a “home-made” CFD code based on a finite difference method, and the elliptic approach by an industrial code (FLUENT) based on a finite volume method. In forced convection mode (Fr = ∞), the two turbulence models are valid for the prediction of the mean flow. But for turbulent sizes, k−ε model gives results closer to those achieved in experiments compared to RSM Model. Concerning the limit of validity of the parabolic and elliptic approaches, we showed that for velocities ratio r lower than 1, the results of the two approaches were satisfactory. On the other hand, for r > 1, the difference between the results became increasingly significant. In mixed convection mode (Fr ≅ 20), the results obtained by the two turbulence models for the mean axial velocity were very different even in the plume region. For the temperature and the turbulent sizes the two models give satisfactory results which agree well with the correlations suggested by the experimenters for X ≥ 20. Thus, the second order model with σ _t = 0.85 is more effective for a coaxial jet study in a mixed convection mode.     

Crystal Structure,Dielectric Characteristics and Conduction Mechanism of a New Hybrid Material,Tetra(Phenylpiperazinium) Decachlorotriplumbate(II)

Monocrystalline (C₁₀H₁₅N₂)₄Pb₃Cl₁₀ was obtained via an aqueous solution reaction and characterized by single-crystal X-ray diffraction technique, elemental analyses, IR spectroscopy, UV–Vis spectrum, photoluminescence properties and thermal analysis. Structural characterization reveals that the title compound is built from [Pb₃Cl₁₀]^4? units sharing Cl2 atom to form 2-D [Pb₃Cl₁₀] _n ^4n? layers, these anions are linked to the organic cations via N–H···Cl and C–H···Cl hydrogen bonding. Moreover, dielectric relaxation spectroscopy has also been determined to show different molecular motions. Measurements of AC conductivity as a function of frequency at different temperatures indicated the hopping conduction mechanism.     

Superionic-protonic behavior of a new mixed sodium dihydrogen phosphate-arsenate at room temperature

The elaborate mixed material of the formula NaH₂(PO₄)_0.48(AsO₄)_0.52·H₂O denoted by NDAP belongs to a group of compounds having properties that are intermediate between those of a normal salt and an acid, and undergoes a transition from a paraelectric to a superprotonic phase transition at room temperature. The temperature phase transition (296 K) leading to a superionic-protonic phase characterized by an unusual high conductivity at room temperature was found. The conductivity relaxation parameters associated with the high-disorder protonic conduction have been determined from the analysis of the M″/M″_max spectrum and measured in a wide temperature range. Transport properties in this material appear to be due to proton hopping mechanism.