Acid-Catalysed Hydrolysis of Some Aromatic Cyclic Sulfamates

The acid catalysed hydrolysis of some cyclic sulfamates, X-3-(p-tolylsulfonyl)-1,2,3-benzoxathiazole 2,2-dioxides ( 1a , X = Me; 1b , X = H; 1c , X = Cl; 1d , X = NO 2 ) have been studied in concentrated aqueous sulfuric and perchloric acid solutions. Analysis of the data by the Excess Acidity Method, activation parameters, substituent, solvent deuterium isotope effect and order of the catalytic effects of the acids are all in agreement with an A-1 mechanism in the studied range.     

Dew Points of Binary Methane + Water: Measurement and Correlation

Experimental measurements of dew points for four methane + water mixtures between 2.6 2 10 5 Pa and 100.4 2 10 5 Pa and the temperature range from 225.5 K to 272.7 K were carried out. The experimental results were analysed in terms of both an equation of state model and an excess function-equation of state method, which reproduced the experimental data within AAD from 1.8 to 3.1 K and from 0.9 to 1.8 K, respectively.     

Density,viscosity and thermodynamic activation for viscous flow of water+sulfolane

Densities and viscosities for the system, water (W)?+?sulfolane (SFL), have been determined for the entire range of composition at temperatures ranging from 303.15 to 323.15?K. Density, excess molar volume, viscosity, excess viscosity and thermodynamic activation parameters for viscous flow have been calculated and plotted against the mole fraction of SFL. The measured properties and some of the derived properties have been fitted to appropriate polynomial equations. These have been explained in terms of such factors, as, dipole–dipole interaction, partial accommodation of water molecules into the structural network of SFL and H-bonding between SFL and H₂O.     

Nonstationarity and related measures for time‐dependent hartree–fock and multiconfigurational models

Based on an earlier article (Eberly and Singh, Phys. Rev. D 1973 , 7, 359) and related works on short‐time evolution, this article proposes a many‐electron formulation for the nonstationarity degree which can be assigned to quantum system at each time point. The key measure introduced, , is a nonstationarity index that can be thought of as an inverse nominal lifetime at each instance of time. The index is directly computed from the time derivative of one‐electron density matrix and is a size‐consistent quantity. In this article, the approach is developed for the time‐dependent Hartree–Fock (TDHF), single‐excitation (TDCIS), and time‐dependent full configuration interaction (TDFCI) models. As a rule, nonstationarity effects are more pronounced in correlated electron systems, and a joint analysis of and the multiconfigurational character of wave functions apparently provide a deeper insight into dynamical molecular processes. The performed calculations on small molecules in laser fields show a preference for the TDCIS model when comparing TDCIS and TDHF with the “exact” TDFCI model. © 2013 Wiley Periodicals, Inc.     

Volumetric behaviour of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system and its binary sub-systems within the temperature range (298.15–328.15) K

Densities and speeds of sound of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system as well as all its binary sub-systems were measured at four temperatures, namely 298.15 K, 308.15 K, 318.15 K, and 328.15 K at atmospheric pressure by a vibrating-tube densimeter DSA 5000. The binary (isooctane + toluene) system was studied previously. Excess quantities (molar volume, adiabatic compressibility, and isobaric thermal expansivity) of the mixtures studied were calculated from the experimental densities and speed of sounds. The excess molar volume data were correlated using the Redlich–Kister equation. Both the positive and S-shaped excess molar volume curves were found for the systems studied. The excess molar volumes versus concentration of binary systems differed in the shape and temperature dependence. The experimental binary data were compared with literature data. The experimental excess molar volumes were analyzed by means of the Extended Real Associated Solution (ERAS) model. The experimental data and the ERAS model can help to estimate real behaviour of the systems studied.     

Generation of a four-qubit cluster state for atoms in a thermal cavity

We propose two schemes for generating a four-atom cluster state in a thermal cavity. With the assistant of a strong classical field the photon-number-dependent parts in the effective Hamiltonian are canceled. Thus the schemes are insensitive to the thermal field. The schemes can also be used to generate the cluster state for the trapped ions in thermal motion.     

Studies on laser–plasma interaction physics for shock ignition

We realized a series of experiments to study the physics of laser–plasma interaction in an intensity regime of interest for the novel “Shock Ignition” approach to Inertial Fusion. Experiments were performed at the Prague Asterix Laser System laser in Prague using two laser beams: an “auxiliary” beam, for pre-plasma creation, with intensity around 7?×?10¹³?W/cm² (250?ps, 1ω, λ?=?1315?nm) and the “main” beam, up to 10¹⁶?W/cm (250?ps, 3ω, λ?=?438?nm), to launch a shock. The main goal of these experiments is to study the process of the formation of a very strong shock and the influence of hot electrons in the generation of very high pressures. The shock produced by the ablation of the plastic layer is studied by shock breakout chronometry. The generation of hot electrons is analyzed by imaging Kα emission.     

Reactions in Nitroimidazole Triggered by Low‐Energy (0–2 eV) Electrons: Methylation at N1‐H Completely Blocks Reactivity

Low‐energy electrons (LEEs) at energies of less than 2 eV effectively decompose 4‐nitroimidazole (4NI) by dissociative electron attachment (DEA). The reactions include simple bond cleavages but also complex reactions involving multiple bond cleavages and formation of new molecules. Both simple and complex reactions are associated with pronounced sharp features in the anionic yields, which are interpreted as vibrational Feshbach resonances acting as effective doorways for DEA. The remarkably rich chemistry of 4NI is completely blocked in 1‐methyl‐4‐nitroimidazole (Me4NI), that is, upon methylation of 4NI at the N1 site. These remarkable results have also implications for the development of nitroimidazole based radiosensitizers in tumor radiation therapy.