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71.
DFT calculations are employed to compare and contrast six-membered ring carbenes including 1,3-dimethyltetrahydropyrimidin-2-ylidene (1a), 1-methyl-3-cyclopropyltetrahydropyridine-2-ylidene (2a), and 1,3-dicyclopropylcyclohexane-2-ylidene (3a) as well as their unsaturated analogues 1b, 2b, 3b, and 2c. The amino groups exert singlet-triplet energy separation (?Es−t) of 60.9 kcal/mol to 1a while cyclopropyls induce a ?Es−t of 14.8 kcal/mol to 3a. The simultaneous presence of amino and cyclopropyl in 2a leads to a ?Es−t of 43.3 kcal/mol. Unsaturation slightly increases the ?Es−t of 1a and 3a but not that of 2a. Our thermodynamic, kinetic, and reactivity results are compared with those of synthetic five-membered ring N-heterocyclic carbenes. 相似文献
72.
Three diamine monomers with different derivatives of imidazole heterocyclic ring and meta-linked aryl ethers were synthesized and used in polycodensation reaction with various commercial dianhydrides for preparation of a series of novel poly(ether-imide) (PEI)s. The polycodensation reactions were carried out by using conventional method and in a green medium of ionic liquid (IL) without using NMP-pyridine-acetic anhydride. The PEIs were obtained in good yields (80% 96%) with moderate viscosity (0.48 0.66 dL/g) in a shorter reaction time (10 h) in IL as compared with the conventional method (36 h). All of the polymers were amorphous in nature, showed excellent solubility in amide-type polar aprotic solvents with ability to form tough and flexible films, and excellent thermal stability with Tgs in the range of 212 340 ℃ and 10% weight loss temperature (T10) up to 570℃ in N 2 and 528 ℃ in air. 相似文献
73.
Seyed Sajad Sajadikhah Malek Taher Maghsoodlou Nourallah Hazeri Sayyed Mostafa Habibi-Khorassani Anthony C.Willis 《中国化学快报》2012,23(5):569-572
An efficient green protocol is described for the preparation of highly functionalized piperidines via a one-pot five-component reaction between aromatic aldehydes,anilines andβ-ketoesters in the presence of oxalic acid dihydrate as catalyst in ethanol at ambient temperature.The structure as well as the relative stereochemistry of these compounds was confirmed by single X-ray crystallographic analysis. 相似文献
74.
Hossein Ali Khonakdar Mahdi Golriz Seyed Hassan Jafari Hossein Abedini Udo Wagenknecht Gert Heinrich 《Macromolecular theory and simulations》2012,21(5):340-349
Transreactions of PET and PEN melt‐mixed in a twin‐screw extruder are investigated. The extruder is modeled and characterized in the frame of a tubular system of closed type. The kinetic modeling is based on a modified second‐order reversible reaction equation, which allows the dispersion equation to be solved analytically. The analysis shows a good agreement between the model and experiment. The axial dispersion model is employed to predict the extent of transesterification reactions (X) and degree of randomness (RD). 1H NMR measurements are performed to estimate X and RD. Theoretical and experimental data are in good agreement. The model can thus be exploited to describe the effects of processing parameters, mixing time, mixing temperature, and blend composition on X and RD.
75.
L-Lysine was produced by a microbial process utilizing a Corynebacterium glutamicum (ATCC 21799) strain. L-Lysine was purified from the cultivated medium by fixed-bed and simulated moving bed (SMB) chromatography. The separation conditions including pH, eluent concentration and Lys+ and Lys2+ adsorption isotherms were studied in batch adsorption. The column capacity, eluent flow rate and eluent concentration have been studied in fixed-bed chromatography. Maximum purification rate of lysine was obtained as 0.066 g/(g·h) (per gram resin and per hour) at an eluent flow rate of 10 mL/min in fixed-bed chromatography. The results obtained from SMB were 0.11 g/(g·h) for L-lysine purification rate and 96% for L-lysine recovery. 相似文献
76.
Mohammad Ali Karimi Zarchi Seyed Shahab Addin Darbandizadeh Mohammad Abadi 《Journal of the Iranian Chemical Society》2018,15(4):915-929
A novel method for the synthesis of pyrazines and quinoxalines has been developed using α-hydroxyketones and 1,2-diamines in the presence of cross-linked poly(4-vinylpyridine)-stabilized Pd(0) nanoparticles, [P4-VP]-PdNPs. The catalyst was easily prepared and characterized using various techniques such as FT-IR and UV–Vis spectroscopy, AAS, TEM, FESEM, EDX analysis and XRD. The results confirm a good dispersion of palladium nanoparticles on the polymer support. The catalyst displayed good catalytic activity when applied to the synthesis of quinoxalines via condensation of α-hydroxyketones with 1,2-diamines. A few pyrazine derivatives and various quinoxalines are prepared via coupling reaction of α-hydroxyketones and 1,2-diamines in high–excellent yields (81–99%) with short reaction times. The quinoxalines products were characterized by FT-IR, 1H and 13C NMR spectroscopy, and the physical properties were compared to the literature values of known compounds. The advantages of the present method over conventional classical methods are rapid and very simple work-up, and the catalyst is reusable many times without a significant loss in its activity. 相似文献
77.
There is a high overvoltage in the oxidation of methanol in fuel cells,and so modified electrodes are used to decrease it.A modified electrode that used Ni(II) loaded analcime zeolite to catalyze the electrooxidation of methanol in alkaline solution was proposed.Analcime zeolite was synthesized by hydrothermal synthesis,and Ni(II) ions were incorporated into the analcime structure,which was then mixed with carbon paste to prepare modified electrode.The electrocatalytic oxidation of methanol on the surface of the modified electrode in alkaline solution was investigated by cyclic voltammetry and chronoamperometry.The effects of the scan rate of the potential,concentration of methanol,and amount of zeolite were investigated.The rate constant for the catalytic reaction of methanol was 6 × 103 cm3 mol-1 s-1 from measurements using chronoamperometry.The proposed electrode significantly improved the electron transfer rate and decreased the overpotential for methanol oxidation. 相似文献
78.
Song and Mason equation of state (EOS) with a simple modification has been extended to modelling PVT properties of ionic liquids (ILs). The considered ILs are [C1mim][MeSO4], [C1mim][CH3OC2H5SO4], [C1mim][(CH3)2PO4], [C2mim][MeSO4], [C2mim][BF4], [C2mim][SCN], [C2eim][NTf2], [C4mim][C(CN)3], [C4mim][CF3SO3], [C4mim][SCN], [C5mim][NTf2], [C8mim][NTf2], [(C6H13)3P(C14H29)][Cl], [(C6H13)3P(C14H29)][NTf2], [(C6H13)3P(C14H29)][Ac], [C3mpyr][NTf2], [C4mpyr][NTf2] and [Py][C2H5OC2H4SO4]. Three temperature-dependent parameters in the proposed EOS have been scaled as functions of reduced temperature with the use of the law of corresponding states. It is shown that the knowledge of just critical temperature and critical density is sufficient to predict the PVT properties of these ILs. The overall average absolute deviation of calculated densities from literature values for 1347 data points of 18 ILs was found to be 0.58%. The predicted density of ILs from proposed EOS has been compared with those obtained by other literature work. Moreover, we indicate that the Zeno line regularity can well be predicted by proposed model for ILs. 相似文献
79.
With the goal of obtaining a water soluble polymeric carrier for preparation of fixed facilitated transport membranes, a water soluble amino containing chitosan derivative was prepared through Michael-addition reaction between chitosan and ethyl acrylate followed by amidation of the ester groups with an appropriate diamine. This derivative was characterized using 1H-NMR spectroscopy. Then, facilitated transport membranes were prepared by casting a thin layer of chitosan derivative/poly(vinyl alcohol) blend on a porous polysolfune support; and the effect of fixed carrier’s content, feed temperature and feed pressure on the CO2 permeance, and CO2/CH4 selectivity of produced membranes were studied. A facilitated transport mechanism for CO2 through this membrane was concluded. 相似文献
80.
Zahra Shokri Behzad Zeynizadeh Seyed Ali Hosseini Behrooz Azizi 《Journal of the Iranian Chemical Society》2017,14(1):101-109
Magnetically separable nano core–shell Fe3O4@Cu(OH)x with 22 % Cu content was prepared by the addition of sodium hydroxide to a mixture of CuCl2·2H2O and nano Fe3O4 in water. Characterization of the impregnated copper hydroxide was carried out by X-ray fluorescence (XRF), X-ray diffraction (XRD) atomic absorption spectroscopy (AAS), scanning electron microscopy (SEM), value stream mapping (VSM) and Brunauer–Emmett–Teller (BET) analysis. The core–shell nanocatalyst exhibited the excellent catalytic activity toward reduction of various nitro compounds to the corresponding amines with NaBH4. All reactions were carried out in H2O (55–60 °C) within 3–15 min to afford amines in high to excellent yields. Reusability of core–shell Cu(OH)x catalyst was examined 9 times without significant loss of its catalytic activity. 相似文献