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991.
Aleksandra Tyl El?bieta Che?mecka Magdalena Jab?ońska Maria Nowak Joachim Kusz Karol Pasterny Roman Wrzalik 《Structural chemistry》2012,23(2):325-332
The X-ray structure, synthesis, theoretical calculation and IR spectra of 1-naphthaleneacrylic acid are reported. The titled
compound crystallizes in the monoclinic C 2/c space group with unit cell parameters: a = 14.556(3), b = 5.1332(10), c = 26.832(5) ?, β = 97.02(3)°, V = 1989.8(7) ?3, Z = 8 and form typical centrosymmetric hydrogen-bonded dimers. Theoretical calculations of 1-naphthylacrylic acid isolated
molecule and hydrogen-bonded dimer have been carried out using density functional theory at the B3LYP level. For optimized
structures the vibrational spectra have been then calculated and compared with experimental IR spectrum. The assignment and
characterization of theoretical vibrational spectra were based on the potential energy distribution analysis. This comparison
has shown that the theoretical spectrum for the dimer structure is in good agreement with the experimental one. Structural
comparisons with naphthalene, and with some substituted 2-propenoic acids have shown influence of the substituent on conformation
of the naphthalene ring or 2-propenoic moiety. 相似文献
992.
Belkacem Belaabed Jean Luc Wojkiewicz Saad Lamouri Noureddine El Kamchi Nathalie Redon 《先进技术聚合物》2012,23(8):1194-1201
Composites based on conductive organic/inorganic fillers dispersed in insulating matrix have been widely investigated because of their widespread applications such as electromagnetic shielding, electrostatic discharge, and sensors. In this context, novel composite materials based on epoxy resin matrix charged with polyaniline (PANI)‐doped para‐toluene sulfonic acid were elaborated. Fourier transform infrared spectroscopy, X‐ray diffraction and scanning electron microscopy were used to check the structure and the morphology of the samples. Viscoelastic behavior and thermal stability of the composites were explored by dynamic mechanical thermal analysis and thermogravimetric analysis. It was shown that the PANI particles exhibited a partial crystalline structure and were homogeneously dispersed in epoxy matrix. Consequently, this structure affected the thermal stability and viscoelastic properties of the composites. Furthermore, the dielectric and electrical properties were investigated up to 1 MHz. Measurements of dielectric properties revealed that with loading fillers in matrix, the dielectric parameters increased to high values at low frequency then decreased at values around 40 and 32 of real and imaginary parts, respectively, at 1 MHz with 15% of PANI content. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
993.
E. V. Drobysheva A. A. Aleksandrov M. M. El’chaninov 《Russian Journal of Organic Chemistry》2012,48(3):423-425
Electrophilic substitution reactions (formylation and acylation) in the series of 2-[2-(2-furyl)vinyl]- and 2-[2-(2-thienyl)vinyl]benzothiazoles
leads to the corresponding derivatives at the α-position of the furan or thiophene ring. The presence of a vinylene bridge
weakens deshielding effect of the benzothiazole fragment on π-excessive heterocycles, so that such compounds react at a higher
rate and under milder conditions as compared to hetarylbenzothiazoles having no vinylene bridge. 相似文献
994.
Houcine Ammar Fatma Abdelkafi Souhir Abid Bouchra Benjelloum-Mlayah Rachid El Gharbi Michel Delmas 《Chemistry of Natural Compounds》2012,48(1):99-102
Alfa grass pulping was successfully performed in hydro-organic acid medium under mild conditions (107°C, atmospheric pressure, cooking
time: 3 h). Use of an acetic acid/formic acid/water mixture as pulping liquor was perfectly suitable for selective isolation
of pulp, lignin, and hemicelluloses. The unbleached pulp obtained in good yield was first delignified by peroxyacids in organic
acid medium and then bleached with hydrogen peroxide in a basic medium to give pulp offering good physico-chemical and mechanical
characteristics. 相似文献
995.
The heterogeneous interaction of H(2)O(2) with TiO(2) surface was investigated under dark conditions and in the presence of UV light using a low pressure flow tube reactor coupled with a quadrupole mass spectrometer. The uptake coefficients were measured as a function of the initial concentration of gaseous H(2)O(2) ([H(2)O(2)](0) = (0.17-120) × 10(12) molecules cm(-3)), irradiance intensity (J(NO(2)) = 0.002-0.012 s(-1)), relative humidity (RH = 0.003-82%), and temperature (T = 275-320 K). Under dark conditions, a deactivation of TiO(2) surface upon exposure to H(2)O(2) was observed, and only initial uptake coefficient of H(2)O(2) was measured, given by the following expression: γ(0)(dark) = 4.1 × 10(-3)/(1 + RH(0.65)) (calculated using BET surface area, estimated conservative uncertainty of 30%) at T = 300 K. The steady-state uptake coefficient measured on UV irradiated TiO(2) surface, γ(ss)(UV), was found to be independent of RH and showed a strong inverse dependence on [H(2)O(2)] and linear dependence on photon flux. In addition, slight negative temperature dependence, γ(ss)(UV) = 7.2 × 10(-4) exp[(460 ± 80)/T], was observed in the temperature range (275-320) K (with [H(2)O(2)] ≈ 5 × 10(11) molecules cm(-3) and J(NO(2)) = 0.012 s(-1)). Experiments with NO addition into the reactive system provided indirect evidence for HO(2) radical formation upon H(2)O(2) uptake, and the possible reaction mechanism is proposed. Finally, the atmospheric lifetime of H(2)O(2) with respect to the heterogeneous loss on mineral dust was estimated (using the uptake data for TiO(2)) to be in the range of hours during daytime, i.e., comparable to H(2)O(2) photolysis lifetime (~1 day), which is the major removal process of hydrogen peroxide in the atmosphere. These data indicate a strong potential impact of H(2)O(2) uptake on mineral aerosol on the HO(x) chemistry in the troposphere. 相似文献
996.
Finite nonassociative division algebras (i.e., finite semifields) with 243 elements are completely classified. Nine Knuth orbits were found, two of which are new. All are primitive, and all but the twisted field planes are fractional dimensional. 相似文献
997.
A micropolar model for axisymmetric blood flow through an axially nonsymmetreic but radially symmetric mild stenosis tapered artery is presented. To estimate the effect of the stenosis shape, a suitable geometry has been considered such that the axial shape of the stenosis can be changed easily just by varying a parameter (referred to as the shape parameter). The model is also used to study the effect of the taper angle Ф. Flow parameters such as the velocity, the resistance to flow (the resistance impedance), the wall shear stress distribution in the stenotic region and its magnitude at the maximum height of the stenosis (stenosis throat) have been computed for different values of the shape parameter n, the taper angle Ф, the coupling number N and the micropolar parameter m. It is shown that the resistance to flow decreases with increasing the shape parameter n and the micropolar parameter m while it increases with increasing the coupling number N. So, the magnitude of the resistance impedance is higher for a micropolar fluid than that for a Newtonian fluid model. Finally, the velocity profile, the wall shear stress distribution in the stenotic region and its magnitude at the maximum height of the stenosis are discussed for different values of the parameters involved on the problem. 相似文献
998.
The unsteady turbulent flow around bodies at high Reynolds number is predicted by an anisotropic eddy-viscosity model in the context of the Organised Eddy Simulation (OES). A tensorial eddy-viscosity concept is developed to reinforce turbulent stress anisotropy, that is a crucial characteristic of non-equilibrium turbulence in the near-region. The theoretical aspects of the modelling are investigated by means of a phase-averaged PIV in the flow around a circular cylinder at Reynolds number 1.4×105. A pronounced stress–strain misalignment is quantified in the near-wake region of the detached flow, that is well captured by a tensorial eddy-viscosity concept. This is achieved by modelling the turbulence stress anisotropy tensor by its projection onto the principal matrices of the strain-rate tensor. Additional transport equations for the projection coefficients are derived from a second-order moment closure scheme. The modification of the turbulence length scale yielded by OES is used in the Detached Eddy Simulation hybrid approach. The detached turbulent flows around a NACA0012 airfoil (2-D) and a circular cylinder (3-D) are studied at Reynolds numbers 105 and 1.4×105, respectively. The results compared to experimental ones emphasise the predictive capabilities of the OES approach concerning the flow physics capture for turbulent unsteady flows around bodies at high Reynolds numbers. 相似文献
999.
1000.
Alaa A. Hassan Kamal M. El‐Shaieb Raafat M. Shaker Dietrich Dpp 《Heteroatom Chemistry》2005,16(1):12-19
1,4‐Disubstituted thiosemicarbazides 1b–f reacted with ethenetetracarbonitrile ( 5 ) in di‐ methylformamide with formation of 2‐substituted 5‐phenyl‐1,3,4‐thiadiazoles 2a–f and 2‐substituted 5‐phenyl‐1,3,4‐oxadiazoles 4a–f . Upon addition of 5 to 1c–e in chlorobenzene, 3‐amino‐2‐benzoyl‐4,5,5‐tri‐ cyano‐2,5‐dihydro‐1H‐pyrazole‐1‐[N‐(4‐tricyanovi‐nyl)phenyl]carbothioamide ( 12 ), 5‐benzylamino‐, and 5‐allylamino‐4‐benzoyl‐2,3‐dihydro‐[1,3,4]thiadiazol‐ 2,2‐dicarbonitrile ( 13a,b ) and 5‐amino‐1‐benzoylpyrazole‐3,4‐dicarbonitrile ( 14 ) as well as 2‐phenyl‐ 4H‐[1,3,4]‐oxadiazine‐5,6‐dicarbonitrile ( 15 ) were formed. Rationales for the role of the solvent and the conversions observed are presented. © 2005 Wiley Periodicals, Inc. Heteroatom Chem 16:12–19, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20071 相似文献