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81.
A new class of stereoregular vinylene‐arylene copolymers with double‐decker silsesquioxane in the main chain 下载免费PDF全文
Michał Dutkiewicz Monika Ludwiczak Bogdan Marciniec Marek Nowicki 《Journal of polymer science. Part A, Polymer chemistry》2016,54(8):1044-1055
A synthesis of a new macromolecular class of vinylene‐arylene copolymers with double‐decker silsesquioxane in the main chain is presented. Two transition‐metal‐catalyzed processes, which is silylative‐coupling copolycondensation (SCC) and ADMET copolymerization of divinyl‐substituted double‐decker silsesquioxanes (DDSQ‐2SiVi) with selected diolefins, are reported to be highly efficient tools for the formation of stereoregular copolymers containing DDSQ‐silylene‐vinylene‐arylene units. The copolymeric products are studied in terms of their structural, thermal, and mechanical properties. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 1044–1055 相似文献
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83.
O. Amri S. Abid M. Rzaigui 《Phosphorus, sulfur, and silicon and the related elements》2013,188(3):766-777
The crystal structure of a new organic cation cyclohexaphosphate, [4-ClC 6 H 4 CH 2 NH 3 ] 4 Li 2 P 6 O 18 .4H 2 O, is reported. It crystallizes in the triclinic system (space group P-1) with the following unit-cell parameters: a = 9.628(8), b = 12.801(9), c = 19.528(6) Å, α = 78.60(4)°, β = 83.00(5)°, β = 89.98(4)°, Z = 2, and V = 2341(3)Å 3 . The structure has been solved using direct methods and refined by least-squares analysis [R 1 = 0.043, wR 2 = 0.108]. The structure can be described as infinite anionic layers with composition of [Li 2 (P 6 O 18 )(H 2 O) 4 ] 4 ? and parallel to the ac plane. The organic groups are located in the accessible voids. The molecules are stabilized by O─H…O and N─H…O types of intermolecular hydrogen bonds in the unit cell in addition to Van der Waals forces. 相似文献
84.
In this article, the poly(methyl methacrylate)/montmorillonite (PMMA/MMT) organic-inorganic hybrid materials were prepared by conventional free radical polymerization and reversible addition-fragmentation chain transfer (RAFT) polymerization, respectively. The kinetics comparison of these two polymerizations was studied. The PMMA/MMT hybrid materials were characterized by gel permeation chromatography (GPC), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). According to these results, we knew that the polymerization behavior of MMA showed controlled/living radical polymerization (CLRP) characteristics under the control of RAFT agent. The incorporation of RAFT agent and MMT nanoparticles improved the thermal properties of polymers, and the thermal stability of polymers increased with increasing content of MMT nanoparticles. The structures and morphologies of PMMA/MMT hybrid materials were characterized by FT-IR, XRD and TEM. These results showed that the MMA monomer can be initiated and propagated in the clay layers of MMT via the control of RAFT agent, and then the exfoliated structure was obtained for the hybrid materials. 相似文献
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Salvatore Sotgia Angelo Zinellu Gianfranco Pintus Gerard Aime Pinna Luca Deiana Ciriaco Carru 《Journal of separation science》2013,36(6):1002-1006
A new hydrophilic interaction ultra‐performance LC method was established for the whole blood measurement of L‐ergothioneine. Chromatographic separation was achieved in a fairly short time, less than 4 min, on a 100 × 2.1 mm Acquity UPLC BEH HILIC 1.7 μm column with a mobile phase consisting of a mixture of 100 mmol/L ammonium acetate/ACN/water (5:85:10, v/v/v) that flowed isocratically at 0.250 mL/min. The LOD and the limit of quantification were 3.85 and 11.67 μmol/L, respectively. The method exhibited linearity in a concentration range of 15.63–1000 μmol/L (R2 > 0.999). Mean recovery was 96.34% whereas intraassay and interassay precision were 1.52 and 1.82% RSD, respectively. On the whole, the developed method is simple, fast, precise, accurate, and sensitive and may be useful for routine analyses. 相似文献
87.
Aline Bruna da Silva Juliano Marini Genaro Gelves Uttandaraman Sundararaj Rinaldo Gregório Jr. Rosario E.S. Bretas 《European Polymer Journal》2013
The objective of this work was to prepare novel conductive blends of poly(vinylidene fluoride) (PVDF) with polypyrrole (PPy) and to compare their performance with PVDF/multiwall carbon nanotube (MWCNT) composites and novel PVDF/PPy/MWCNT hybrid systems. All the compositions were prepared by melt mixing using a miniature mixer. The mixtures were characterized by Fourier transformed infrared (FTIR), wide angle X-ray diffraction (WAXD), thermogravimetric analyses (TGA), scanning and transmission electron microscopy (SEM and TEM, respectively) and volume electrical resistivity. For the binary PVDF/PPy and PVDF/MWCNT systems, percolation thresholds of 10 and 0.3 wt%, respectively, were found. In the hybrid systems, however, the percolation threshold for each filler was lower than in the binary systems, but the electrical conductivities were always much higher at all concentrations than the conductivities of the binary systems. Therefore, the addition of both fillers had a synergistic effect on the hybrid system conductivity, which was attributed to its morphology: the PPy increased the homogeneity of the MWCNT distribution and decreased the available free volume for the MWCNT; as a result the MWCNT rolled around the PPy particles bridging them through the PVDF matrix, increasing the quantum tunneling effect and thus, the electrical conductivity of the system. 相似文献
88.
Feng Yu 《International journal of quantum chemistry》2013,113(21):2355-2360
The intermolecular interactions of formic acid (HCOOH) with benzene (C6H6) have been investigated using localized molecular orbital energy decomposition analyses (LMO‐EDA) with ab initio MP2 and several double‐hybrid density functionals. The molecular geometries of five HCOOH…C6H6 complexes and corresponding benchmark total interaction energies at the CCSD(T)/CBS level are taken from literature (Zhao et al., J. Chem. Theory Comput. 2009, 5, 2726). According to the results of LMO‐EDA with the MP2 method, the dispersion energies are found to be as important as the electrostatic energies for the total interaction energies of the five HCOOH…C6H6 complexes. Based on LMO‐EDA with the double‐hybrid density functionals of B2PLYP, B2K‐PLYP, B2T‐PLYP, and B2GP‐PLYP computations, two new parameters for the framework of B2PLYP are extrapolated. These two new parameters are tested with other 10 complexes involving C6H6 (Crittenden, J. Phys. Chem. A 2009, 113, 1663), and they perform well on predicting the corresponding total interaction energies. Interestingly, these two new parameters for the framework of B2PLYP also perform well on the noncovalent complexation energies database (NCCE31/05) developed by Truhlar's group (Zhao and Truhlar, J. Phys. Chem. A 2005, 109, 5656). Therefore, these two new parameters appear to be suitable for investigating the noncovalent interactions, and they are denoted as B2N‐PLYP, where N stands for the noncovalent interaction. This study is expected to provide new insight into the derivation of double‐hybrid density functionals for studying the noncovalent interactions. © 2013 Wiley Periodicals, Inc. 相似文献
89.
Heqing Fu Hong Huang Qi Wang Hui Zhang Huanqin Chen 《Journal of Dispersion Science and Technology》2013,34(5):634-638
The aqueous polyurethane hybrid dispersion modified by the epoxy resin were synthesized using 1,4-butanediol ( BDO ) and dimethylolpropionic(DMPA) as chain extenders. A kind of automobile interior decoration adhesive was made by the modified hybrid dispersions. Effects of the content and the kinds of epoxide resin on the properties of dispersions and dispersion-cast films such as appearance, pot life, viscosity, particle size, molecular mass, hardness, swelling in water, contact angle, strength of stress, elongation at break, and other mechanical properties were studied. At the same time the effect of the E20 content on the peel strength of the adhesive for several automobile interior decoration substrates such as rubber/wood, poly(vinyl chloride)/wood; leather/wood, sponge/wood was investigated. The experimental results show that when the epoxy resin E20 content was 8%, the modified polyurethane hybrid dispersions possess better properties and the adhesive made by the modified dispersions posses better adhesion for automobile interior decoration substrates. The stress-strain curve of the modified aqueous polyurethane hybrid dispersions films shows the modified aqueous cast films possess better rigidity and toughness. 相似文献
90.
Torsten Kerber Rachel Nathaniel Kerber Xavier Rozanska Philippe Sautet Paul Fleurat‐Lessard 《Journal of computational chemistry》2013,34(13):1155-1163
We present a new software to easily perform QM:MM and QM:QM' calculations called QMX. It follows the subtraction scheme and it is implemented in the Atomic Simulation Environment (ASE). Special attention is paid to couple molecular calculations with periodic boundaries approaches. QMX inherits the flexibility and versatility of the ASE package: any combination of methods namely force field, semiempirical, first principle, and ab initio, can be used as hybrid potential energy surface (PES). Its ease of use is demonstrated by considering the adsorption of Al2Cl3Me3 on silica surface and by combining different levels of theory (from standard DFT to MP2 calculations) for the so‐called High Level cluster with standard PW91 density functional theory calculations for the Low Level environment. It is shown that the High Level cluster must contain the silanol group close to the aluminum atoms. The bridging adsorption is favored by 58 kJ mol?1 at the MP2:PW91 level with respect to the terminal position. Using large clusters at the MP2:PW91 level, it is shown that PW91 calculations are sufficient for structure optimization but that embedded methods are required for accurate energy profiles. © 2013 Wiley Periodicals, Inc. 相似文献