Quantum-Chemical Evaluation of the Protolytic Properties of Thiophenols

The enthalpies and free energies of proton affinity (PA) were calculated by the PM3 method for 27 thiophenoxide anions. For thiophenols, linear correlation has been found between the PAs and the values of pK _a measured by different authors in aqueous acetone, aqueous ethanol, and methanol media. The dependences found permit one to predict a priori the protolytic properties of thiophenols. The differential effects of aqueous ethanol media with different ethanol contents on thiophenol acidity were evaluated based on quantum-chemical data.Original Russian Text Copyright © 2004 by A. N. Pankratov and A. V. Shalabai__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 800–806, September–October, 2004.     

网络图在产品配送中的应用

面对多样化的市场需求，企业的销售渠道也变得异常复杂，利用网络图可以简化实际问题，并能形象地描述它。本根据网络知识建立了产品分销模型，探求企业在市场需求固定和随机时的最优收益。最后，章还进行实例验算，并做出相应的结果分析。     

Weak Attractive Ligand–Polymer and Related Interactions in Catalysis and Reactivity: Impact,Applications, and Modeling

The notion of weak attractive ligand–polymer interactions is introduced, and its potential application, importance, and conceptual links with “cooperative” ligand–substrate interactions are discussed. Synthetic models of weak attractive ligand–polymer interactions are described, in which intramolecular weak C? H???F? C interactions (the existence of which remains contentious) have been detected by NMR spectroscopy and neutron and X‐ray diffraction experiments. These C? H???F? C interactions carry important implications for the design of catalysts for olefin polymerization, because they provide support for the practical feasibility of ortho‐F???H_β ligand–polymer contacts proposed for living Group 4 fluorinated phenoxyimine catalysts. The notion of weak attractive noncovalent interactions between an “active” ligand and the growing polymer chain is a novel concept in polyolefin catalysis.     

Field Theory Approach to the Dynamics of a Continuous Medium: A Perturbation Theory

We propose a perturbation theory that allows solving the equations of motion for the displacement vector in the body of the Earth in the framework of the linear theory of elasticity. We show that tectonic processes are primarily determined by tidal actions. We analyze the tidal effects in the Earth–Moon–Sun system.     

Isomer effects on transport properties of polyesters based on bisphenol-A

Pure gas sorption and transport properties of polyesters based on bisphenol-A and both pure isophthalic and pure terephthalic acid chloride were obtained for He, N₂, O₂, CH₄, and CO₂ at 35°C. The polymers were synthesized in our laboratory and amorphous films were prepared with a specialized solvent casting procedure. The polymer containing m-phenylene groups shows higher permselectivity for most of the gas pairs. The ideal selectivity of O₂/N₂ was increased by 33% when p-phenylene units were replaced by m-phenylene ones. On the other hand, the polyester containing only p-phenylene groups, shows higher permeability to all the gases studied. The polymer based on pure terephthalic acid chloride has a 75% higher oxygen permeability and a 1.1-fold higher carbon dioxide permeability than the isophthalic acid derivative. The polyester containing meta-phenylene units has lower T_g, higher permselectivity, lower permeability, lower fractional free volume (FFV), and lower d-spacing. The values of FFV, and lower d-spacing. The values of FFV and d-spacing were only slightly different between the two isomers. Moreover, for the sub-T_gγ transition the maximum in tan δ occured at essentially the same temperature (?55°C). The polymer with a higher concentration of p-phenylene units shows somewhat larger area under the γ-peak, indicating slightly more sub-T_g motion. The Distribution of FFV is considered to be the determining factor for the differences in transport properties observed. © 1993 John Wiley & Sons, Inc.     

Anomalies of attenuation and phase velocity of surface acoustic waves in YBa2Cu3O7‒δ thin films in the vicinity of Tc

We present measurements of the attenuation and phase velocity of surface acoustic waves in thin YBa₂Cu₃O films as a function of temperature, in magnetic fields up to 3.6 T applied parallel to the c-axis of the films. We have observed anomalies in both, the attenuation and the phase velocity in the vicinity of the superconducting critical temperature which do not depend on the magnetic field. Possible origins of these anomalies, observed, to our knowledge, for the first time in YBa₂Cu₃O thin films, are discussed and compared to bulk acoustic wave experiments. We present a kind of feedback technique for surface acoustic waves which improves the sensitivity of this type of measurement. The actual sensitivity limits are mentioned. Received: 7 August 1997 / Revised: 7 November 1997 / Accepted: 17 November 1997     

Evaluation of piezoelectric PVDF polymers for use in space environments. III. Comparison of the effects of vacuum UV and gamma radiation

Films of piezoelectric PVDF and P(VDF‐TrFE) were exposed to vacuum UV (115–300 nm VUV) and γ‐radiation to investigate how these two forms of radiation affect the chemical, morphological, and piezoelectric properties of the polymers. The extent of crosslinking was almost identical in both polymers after γ‐irradiation, but surprisingly, was significantly higher for the TrFE copolymer after VUV‐irradiation. Changes in the melting behavior were also more significant in the TrFE copolymer after VUV‐irradiation due to both surface and bulk crosslinking, compared with only surface crosslinking for the PVDF films. The piezoelectric properties (measured using d₃₃ piezoelectric coefficients and D‐E hysteresis loops) were unchanged in the PVDF homopolymer, while the TrFE copolymer exhibited more narrow D‐E loops after exposure to either γ‐ or VUV‐radiation. The more severe damage to the TrFE copolymer in comparison with the PVDF homopolymer after VUV‐irradiation is explained by different energy deposition characteristics. The short wavelength, highly energetic photons are undoubtedly absorbed in the surface layers of both polymers, and we propose that while the longer wavelength components of the VUV‐radiation are absorbed by the bulk of the TrFE copolymer causing crosslinking, they are transmitted harmlessly in the PVDF homopolymer. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3253–3264, 2006     

Pulsed pump: Thermal effects in solid state lasers under super-Gaussian pulses

Solid state laser (SSL) powers can be realistically scaled when pumped by a real, efficient and multimode pulse. In this work, a fourth-order super-Gaussian pulse was assumed as a pump for SSL’s and a complete analytical expression for the thermal phase shift is given. Moreover, the focal length of thermal lens in paraxial ray approximation regime was studied. The results when applied to a Ti: sapphire crystal show an appreciable correction for abberation compared to a top-hat pulse.