X-Ray Diffraction Study of New Organic Compound n-Tol3Sb[OC(O)CH=CHPh]2

Crystallography Reports - The bis[(2E)-3-phenylprop-2-enoate]-tris(п-tolyl)antimony n-Tol3Sb[OC(O)CH=CHPh]2 complex is obtained as a result of interaction of tri-n-tolylantimony, hydrogen...     

Synthesis and Structure of Tetraphenylantimony Methacrylate and Tetraphenylantimony Crotonate and Their Use for the Production of Antimony-Containing Polystyrene

Russian Journal of General Chemistry - Tetraphenylantimony methacrylate Ph4SbO2CC(CH3)=CH2 and tetraphenylantimony crotonate Ph4SbO2CCH=CHCH3 were synthesized by the action of acids on Ph5Sb or on...     

CRYSTAL STRUCTURE AND X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE BINUCLEAR CLUSTER THIOCYANATE COMPLEX OF NIOBIUM(IV)

Journal of Structural Chemistry - The structure of a binuclear niobium(IV) thiocyanate complex (Bu4N)4[Nb2(μ2-S2)2(NCS)8]·H2O (1·H2O) is studied by X-ray crystallography. Compound...     

Special characteristics of the propagation of three-dimensional viscous jets

Numerical investigations were made of the propagation, in a supersonic wake, of uncalculated jets, flowing out of nozzles of square and rectangular cross section, and of lumped jets, made up of from two to nine individual jets; the special characteristics of their flow were investigated in the initial, transitional, and main sections. Specifically, for lumped jets, the possibility of replacing them by a single axisymmetric jet, equivalent in mass-flow rate, is discussed. To calculate a three-dimensional unexpanded supersonic jet, flowing out into a wake, in [1] it was proposed to use a numerical method for solving a simplified system of Navier-Stokes equations for steady-state flow, and numerical investigations were made of the three-dimensional interaction of four jets in a supersonic wake, at small distances from the outlet cross section of the nozzle, i.e., mainly in the initial sections of the jets, where the mixing layers along the boundaries of the jets are still not closed. Here the method of [1] is used to study the special characteristics of three-dimensional viscous jets at large distances from the outlet cross section of the nozzle in the region of the main section, where the mixing layers have come together and a single three-dimensional jet has been formed. The system of equations, the boundary conditions, the numerical method, the system of coordinates, and the nomenclature used are the same as in [1].     

Study of a Pulsed Air Flow in a Large Vacuum Chamber by Means of a Commercial Ionization Gauge

Technical Physics - A method for creating a pressure gradient by pulsed injection of air into a large vacuum chamber for laboratory simulation of plasma phenomena in a vertically nonuniform...     

Mechanism of [3+2] Cycloaddition of Alkynes to the [Mo3S4(acac)3(py)3][PF6] Cluster

A study, involving kinetic measurements on the stopped‐flow and conventional UV/Vis timescales, ESI‐MS, NMR spectroscopy and DFT calculations, has been carried out to understand the mechanism of the reaction of [Mo₃S₄(acac)₃(py)₃][PF₆] ([ 1 ]PF₆; acac=acetylacetonate, py=pyridine) with two RC?CR alkynes (R=CH₂OH (btd), COOH (adc)) in CH₃CN. Both reactions show polyphasic kinetics, but experimental and computational data indicate that alkyne activation occurs in a single kinetic step through a concerted mechanism similar to that of organic [3+2] cycloaddition reactions, in this case through the interaction with one Mo(μ‐S)₂ moiety of [ 1 ]⁺. The rate of this step is three orders of magnitude faster for adc than that for btd, and the products initially formed evolve in subsequent steps into compounds that result from substitution of py ligands or from reorganization to give species with different structures. Activation strain analysis of the [3+2] cycloaddition step reveals that the deformation of the two reactants has a small contribution to the difference in the computed activation barriers, which is mainly associated with the change in the extent of their interaction at the transition‐state structures. Subsequent frontier molecular orbital analysis shows that the carboxylic acid substituents on adc stabilize its HOMO and LUMO orbitals with respect to those on btd due to better electron‐withdrawing properties. As a result, the frontier molecular orbitals of the cluster and alkyne become closer in energy; this allows a stronger interaction.     

Destruction Kinetics of 2,4 Dichlorophenol Aqueous Solutions in an Atmospheric Pressure Dielectric Barrier Discharge in Oxygen

The processes of degradation of 2,4-dichlorophenol (2,4-DCP) aqueous solutions under the action of atmospheric pressure of DBD in oxygen were studied. The degradation of 2,4-DCP proceeds efficiently, the degree of decomposition reaching 100%. The degradation kinetics of 2,4-DCP obeys a formal first-order kinetic law on concentration of 2,4-DCP. The effective rate constants depend weakly on the experimental conditions and are equal to ~ 2 s^?1. Based on experimental data, the energy efficiency of 2,4-DCP decomposition was determined to be in the range of 0.039–0.173 molecules per 100 eV depending on the experimental conditions. The composition of the products was studied by gas chromatography, chromatography-mass spectrometry, UV/visible spectroscopy, fluorescent methods and some chemical methods. The main decomposition products present in the solution were found to be carboxylic acids, aldehydes and chloride ions, whereas carbon dioxide and molecular chlorine appear in the gas. The results obtained are compared with similar data from other advanced oxidation processes (AOP’s) methods.     

Diagnostics of the atmospheric-pressure plasma parameters using the method of near-field microwave sounding

A method of resonant near-field microwave probing is developed for contactless diagnostics of a high-pressure plasma. The efficiency of this method in measuring the parameters of the plasma of an rf capacitive discharge in argon under atmospheric pressure is demonstrated. The experimental results are compared with the data obtained using the independent method, the microwave radiation “cutoff,” and with theoretical estimates.     

Qubits based on spectrally selected groups of Pr<Superscript>3+</Superscript> ions in a LaF<Subscript>3</Subscript> crystal

Spectral selection, i.e., the separation of a group of particles with a spread in resonance frequencies smaller than the hyperfine splitting of working levels has been implemented by the method of burning of long-lived spectral dips in the inhomogeneously broadened absorption line of Pr³⁺ in a LaF₃ crystal. The possibility of implementing qubits (basic elements of quantum computations) on ensembles of spectrally selected particles and the main operations with them, including the manipulation of the populations of hyperfine (qubit) levels and the controlled shift of the absorption line of one spectrally selected group of ions upon excitation of another group (two-qubit operations), has been demonstrated. The decay rates of the population of hyperfine sublevels of the ground state of the spectrally selected group of particles have been measured.     

Synthesis and structure of the platinum complexes [Bu4N]+[PtBr5(DMSO)]?, [Ph4P]+[PtBr5(DMSO)]?, and [Ph3(n-Am)P]+[PtBr5(DMSO)]?

The complexes [Bu₄N]₂⁺[PtBr₆]²⁻ (I), [Ph₄P]₂⁺[PtBr₆]²⁻ (II), and [Ph₃(n-Am)P]₂⁺ (III) are synthesized by the reactions of tetrabutylammonium bromide, tetraphenylphosphonium bromide, and triphenyl(n-amyl)-tetraphenylphosphonium bromide, respectively, with potassium hexabromoplatinate (mole ratio 2: 1). After recrystallization from dimethyl sulfoxide, complexes I, II, and III transform into [Bu₄N]⁺[PtBr₅(DMSO)]⁻ (IV), [Ph₄P]⁺[PtBr₅(DMSO)]⁻ (V), and [Ph₃(n-Am)P]⁺[PtBr₅(DMSO)]⁻ (VI). According to the X-ray diffraction data, the cations of complexes IV–VI have a slightly distorted tetrahedral structure. The N-C and P-C bond lengths are 1.492(7)–1.533(6) and 1.782(10)–1.805(10) ?, respectively. The platinum atoms in the mononuclear anions are hexacoordinated. The dimethyl sulfoxide ligands are coordinated with the Pt atom through the sulfur atom (Pt-S 2.3280(18)–2.3389(11) ?). The Pt-Br bond lengths are 2.4330(6)–2.4724(6) ?.