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991.
Hassan Rabaâ Bernd Engels Thomas Hupp A. Stephen K. Hashmi 《International journal of quantum chemistry》2007,107(2):359-365
A general scheme for the endo‐ and exo‐cyclization of furan reactivity with [L ‐AuIII, IClx] with (x = 3, 1 and L ‐acetylene and vinylidene) complexes is investigated using density functional theory (DFT) code. Two conceivable mechanisms via a [4 + 2] Diels–Alder process or carbene complex are analyzed. According to the activation energy values of the gold (III and I) catalyst, the first mechanism, which implies the Diels–Alder reaction of AuIII, is thermodynamically favored and gives more evidence of the intramolecular addition of the furan with the alkynes. The second mechanism, presumably assisted by the spontaneous formation of the exo‐vinylidene complexes and intermediates of gold (III, I) by forming the carbene complex, is kinetically favored. Additionally, we compare our results with other structures with intramolecular additions that exhibit the quasi‐similarity of gold analogue structures. Differences in activation energies are observed, according to the functional used. Finally, we probe the solvent effects, which decrease the energy barrier in the path. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
992.
O. Yu. Slabko N. V. Ageenko D. V Kuklev V. A. Kaminski 《Chemistry of Heterocyclic Compounds》2002,38(3):354-358
Oxidative coupling of derivatives of 4a,9-diaza-1,2,4a,9a-tetrahydro-9H-fluorene with 2-ethyl-, 2,2-dimethyl-, and 2-hydroxymethyl-2-methylaminoethanol in the presence of MnO2 led to the selective formation of the corresponding mono- and di(hydroxymethyl)quinonediimines, subsequent cyclization of which gave the products of 6,7-annelation. Coupling with 2,2-di(hydroxymethyl)aminoethanol gave the annelation products directly. 相似文献
993.
Three acyclic polythioethers containing 2-thienyl units at both ends were synthesized and the effect of substituent on the extraction of copper(II) was studied. The methyl groups in the terminal thiophene ring have imparted an appreciable degree of increase in the percent extraction of copper(II), while the introduction of chlorine atoms into the 2-thienyl unit resulted in the reverse effect. Among the counter dye anions examined, tetrabromophenolphthalein ethylester was the best one for copper(II) extraction. The composition of extracted species was evaluated to be 122 (Cu(II)/polythioether/dye anion). Quantitative extraction of copper(I) was attained as complexes with various triphenylmethane dyes, i.e., bromocresol green, bromothymol blue, bromo-phenol blue and pyrogallol red. Copper(I) in organic phase was completely back-extracted with 2 mole/l sulfuric acid containing 10% hydrogen peroxide. 相似文献
994.
J. Díaz-Ferrero M.C. Rodríguez-Larena L. Comellas B. Jiménez 《Trends in analytical chemistry : TRAC》1997,16(10):1865-573
The usual methods for determining polychlorinated dibenzo-p-dioxins (PCDD), polychlorinated dibenzofurans (PCDF) and polychlorinated biphenyls (PCB) are generally expensive and time consuming. This fact has favored the development of faster and cheaper techniques, based on immunoassays and bioassays. This paper reviews these bioanalytical methods and their analytical importance at the present moment. 相似文献
995.
996.
Pb8FeIIFeF24 is triclinic: a = 20.118(3) Å, b = 5.597(1) Å, c = 9.440(2) Å, α = 89.75(2)°, β = 105.79(2)°, α = 89.38(2)°, Z = 2. The structure is solved in the unconventional space group C1 , from X-ray single crystal data using 1 641 independent reflections (R = 0.048, Rw = 0.051). It is built up from the stacking of two subnetworks along the a axis: fluorite-like [Pb8F10]n6n+ layers and infinite dimetallic [FeIIFeF14]n6n? double-chains of corner-sharing octahedra running along the b axis. 相似文献
997.
P. Torline G. du Plessis N. Schnautz J. C. Thompson 《Journal of separation science》1979,2(10):613-616
A detailed method for the routine preparation of glass capillary columns is presented. The method consists of coating a glass tube with quartz powder prior to pulling the tube into a capillary. The inner surface of the capillary consists of an even distribution of quartz particles fused to the walls. This surface has been found readily deactivated by standard procedures and ideal for the preparation of thick-film glass capillary columns. The method has been thoroughly tested in two independent laboratories to ensure that the procedures described are reproducible. 相似文献
998.
Summary The solubility isotherm of the system Tb2O3-SeO2-H2O at 100° was studied. The compounds of the three-component system were identified by the Schreinemakers’ method as well as by chemical and X-ray phase analyses. Simultaneous TG and DTA analyses of all compounds of the system were made. The mechanism of thermal decomposition was described. 相似文献
999.
研究考虑消费者低碳偏好的闭环供应链回收、碳减排与专利授权决策问题。分别构建制造商回收再制造、零售商回收再制造支付固定专利费、零售商回收再制造支付单位专利费的闭环供应链模型,分析低碳消费者比例、普通消费者对再制品的接受程度及碳权交易价格,对企业回收、碳减排及定价决策的影响,并比较了三种模式下企业及供应链的利润。研究表明:随着市场中低碳消费者比例及普通消费者对再制品接受程度的提高,总会使得回收率及碳减排率增加;碳权交易价格的提高,也会促使制造商提高碳减排率;对制造商来说,其利润在零售商回收再制造且支付固定专利费用下实现最优。从自身利润最优的角度出发,作为领导者的制造商将总是选择零售商回收再制造且支付固定专利费用模式。 相似文献
1000.
In this short paper I report on a paper published in Nonlinear Analysis: Real World Applications in 2004. There is a major mistake early in that paper which makes most of its claims false. The class of reaction–diffusion systems considered in the paper has been the object of a renewed investigation in the past few years, by myself and others, and recent discoveries provide explicit counter-examples. 相似文献