共查询到20条相似文献,搜索用时 0 毫秒
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采用溶胶-凝胶法合成了层状正极材料LiNi0.4Co0.2Mn0.4O2,XRD、SEM、EDS和电化学性能测试表明,850℃为最佳煅烧温度,在此温度下合成的材料具有ɑ-NaFeO2层状结构,结晶度最好,Ni、Co、Mn分布均匀。充放电测试在2.0~4.6 V,0.2 C的电流下,材料首次放电比容量为185.6 mAh/g,库伦效率为93.2%;经40次循环后,容量保持率为92.5%,且该材料具有优良的倍率性能。 相似文献
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催化脱氢合成(-)-4-(1,5-二甲基-4-己烯)-2-甲基苯酚 总被引:1,自引:0,他引:1
研究了催化脱氢法合成(-)-4-(1,5-二甲基-4-己烯)-2-甲基苯酚的工艺。笔者以PdCl2为脱氢试剂,考察了反应溶剂、温度、时间和PdCl2用量对合成该天然产物的影响。在优化的工艺条件下,(-)-4-(1,5-二甲基-4-己烯)-2-甲基苯酚的收率可达到82%。 相似文献
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以吲哚-4-甲醛、对甲基苯肼和对氯苯胺为原料,合成了1-(4-甲苯基)-3-(4-吲哚基)-5-(4-氯苯基)甲臢。经红外、核磁和质谱等波谱鉴定了目标分子的结构,并测定了它的氧化还原电位值。 相似文献
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4-(4-氯苯基)环己醇及4-(4-氯苯基)环己酮的合成研究 总被引:1,自引:0,他引:1
以氯苯、环己烯、乙酰氯为原料,通过Friedel-Crafts反应、Baeyer-Villiger反应、水解反应得到4-(4-氯苯基)环己醇。通过正交试验得到Friedel-Crafts反应和Baeyer-Villiger反应优化后的工艺条件。4-(4-氯苯基)环己醇总收率达12.9%,较文献收率提高了6%以上。所得醇经次氯酸钠氧化,得到4-(4-氯苯基)环己酮,氧化收率87%,产品的结构经1HNMR、GC-MS鉴定。 相似文献
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Timo Jacob 《Electrochimica acta》2007,52(6):2229-2235
The potential-induced surface reconstruction of Au(1 0 0) was studied by a combination of density functional theory (DFT) and thermodynamic considerations. On the basis of realistic models for the reconstructed surface ((5 × 1) and (7 × 1) unitcells), in which a hexagonal overlayer was located above the bulk-truncated Au(1 0 0) surface, we found that applying an electric field causes a slight lifting of the overlayer, leading to a stronger surface buckling than without electric field. Using experimental cyclovoltammetry measurements we were able to relate the electric field applied in our calculations to the electrode potential. The resulting surface free energy curves showed a transition from the hexagonal-reconstructed surface phase to the non-reconstructed structure between +0.5 and +0.6 V (versus SCE-electrode) depending on the ion concentration in the electrolyte. Higher potentials values are required at lower electrolyte concentrations. 相似文献
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The extraction of palladium complexes with 4-(2-pyridyl-azo)resorcinol (PAR=H2R) by tetraphenylphosphonium and tetra-phenylarsonium chlorides in chloroform was investigated. The optimum conditions for the extraction and spectrophotometric determination of palladium in the extract were determined and the extracted species studied. The anionic complex {PdRCl}? was predominantly extracted over a wide pH range (between 3 and 10) forming ion associates with the cation of the extraction agent. The extracted complexes were studied spectrophoto-metrically in solution and by characterization of the ìsolated solid compounds. 相似文献
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Peter W. Jurutka Orsola di Martino Sabeeha Reshi Sanchita Mallick Zhela L. Sabir Lech J. P. Staniszewski Ankedo Warda Emma L. Maiorella Ani Minasian Jesse Davidson Samir J. Ibrahim San Raban Dena Haddad Madleen Khamisi Stephanie L. Suban Bradley J. Dawson Riley Candia Joseph W. Ziller Ming-Yue Lee Chang Liu Wei Liu Pamela A. Marshall John S. Welch Carl E. Wagner 《International journal of molecular sciences》2021,22(22)
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2-aminothiophenol and 4-methoxybenzaldehyde were cyclized under microwave irridation and solvent free conditions to synthesize 2-(4-methoxyphenyl)benzo[d]thiazole. The molecular structure and vibrational frequencies of the title compound in the ground state have been investigated with ab initio (HF) and density functional theory methods (BLYP, B3LYP, B3PW91 and mPW1PW91) implementing the standard 6–311G(d,p) basis set. Comparison of the observed fundamental vibrational frequencies of title compound and calculated results by HF and DFT methods indicate that B3LYP is superior to the scaled HF approach for molecular problems. 相似文献
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1-(4-甲氧基苯基)-4-(4-氨基苯基)哌嗪的合成 总被引:2,自引:1,他引:2
以二乙醇胺为起始原料,经溴化环合"一锅法"合成1 (4 甲氧基苯基)哌嗪二盐酸盐,再经胺化、还原制得抗真菌药伊曲康唑的中间体1 (4 甲氧基苯基) 4 (4 氨基苯基)哌嗪,产品总收率35%。 相似文献
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5-(4-烷基苯基)-2-(4-氰基苯基)-嘧啶的合成 总被引:1,自引:0,他引:1
对 5 (4 烷基苯基 ) 2 (4 氰基苯基 ) 嘧啶的合成进行了研究 ,以 5 (4 正己基苯基 ) 2 (4 氰基苯基 ) 嘧啶 (Ⅳ )的合成为例 ,论述了以 4 己基苯乙酸为原料 ,先依次制得 4 己基苯乙酰氯 ,1 二甲氨基 3 二甲亚胺基 2 (4 正己基苯基 ) 丙烯 高氯酸盐 (Ⅰ ) ,得率 84%。进而在甲醇钠存在下与 4 溴苯基脒盐酸盐 (Ⅱ )相对接 ,合成 5 (4 正己基苯基 ) 2 (4 溴苯基 ) 嘧啶 (Ⅲ ) ,得率 87%。最后Ⅲ和CuCN反应合成了液晶化合物Ⅳ ,得率 78%。其结构由1HNMR和IR光谱所证实 ,同时还测定了其DSC。另外在合成Ⅱ时 ,必须在无水条件下进行 ,而且在通入氯化氢气体时 ,反应温度保持 - 5~ 0℃ ,其反应得率 97%。 相似文献
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合成了1-(4-氯苄基甲基)-2-硝基亚氨基咪唑烷,并利用IR,MS,1HNMR表征了其结构,生物活性初步研究表明,该化合物具有一定的杀虫活性,是一种合格的家药先导化合物。 相似文献