A series of copper-zirconium oxides with the Cu/Zr ratio ranging from 2/8 to 9/1 were synthesized by the co-precipitation method.The PdO/CumZrn catalysts were prepared and applied to synthesis of allyl ethers via the ...A series of copper-zirconium oxides with the Cu/Zr ratio ranging from 2/8 to 9/1 were synthesized by the co-precipitation method.The PdO/CumZrn catalysts were prepared and applied to synthesis of allyl ethers via the etherification reactions of allyl chloride with alcohols.The characterization results demonstrated that the presence of ZrO_(2) phase not only can facilitate the high dispersion of Pd^(2+),but can also favor the formation of Cu^(+) via the interaction between CuO and ZrO_(2).The catalytic performance initially increases and then falls off with the progressive increase in the Cu/Zr ratio.The superior performance with a conversion of 53.2%along with a selectivity of 60.3%was achieved over the resulting PdO/Cu7Zr3 catalyst with the highest surface molar proportion of Cu^(+).Good catalytic activity was obtained,because the Cu^(+)-Oα-pairs could enhance the dissociative activation of the-O-H bond in alcohols compared with Cu^(2+)-O2-pairs,subsequently promoting the etherification reactions.展开更多
We used density functional theory calculations at the B3LYP/6-311G** level for a theoretical study on the complex formed when uranium(Ⅳ) coordinates with N,N'- bis(3-allyl salicylidene)-o-phenylenediamine(BASPDA)...We used density functional theory calculations at the B3LYP/6-311G** level for a theoretical study on the complex formed when uranium(Ⅳ) coordinates with N,N'- bis(3-allyl salicylidene)-o-phenylenediamine(BASPDA),i.e.,U(BASPDA)_2.The results indicated that the coordination complex of U(BASPDA)2 could form two different structures with a ratio of 1:2.One was a parallel dislocation structure(PDS-U),in which the two BASPDAs' middle benzene rings adopted a parallel dislocation with an angle of 56.64°,and the other was a staggered finger "+" structure(SFS-U),in which the two BASPDAs employed the staggered finger "+" shape.The binding energies,charge distribution,spectral properties,thermodynamic properties,molecular orbitals and Wiberg bond indices for both PDS-U and SFS-U were calculated and compared with each other.展开更多
建立了一种在温和条件下,用可见光催化合成一系列3,4-二氢异喹啉-1(2H)-酮及其衍生物的方法。该方法在室温条件下,以2-烯丙基-N-甲氧基苯甲酰胺为模板底物,以碘化钾作为光催化剂,25 W 460 nm的蓝色LED灯照射下,合成一系列3,4-二氢异喹啉...建立了一种在温和条件下,用可见光催化合成一系列3,4-二氢异喹啉-1(2H)-酮及其衍生物的方法。该方法在室温条件下,以2-烯丙基-N-甲氧基苯甲酰胺为模板底物,以碘化钾作为光催化剂,25 W 460 nm的蓝色LED灯照射下,合成一系列3,4-二氢异喹啉-1(2H)-酮衍生物,最高产率可达到83%。该合成路径具有底物适用范围广、经济实用等特点,为3,4-二氢异喹啉-1(2H)-酮衍生物合成提供了一种经济简便的方法。展开更多
The complex of Bis(2,4 pentanedionato) Cobalt has been synthesized.The structure has been characterized by infrared spectra and element analysis.The catalytic activity of the complex in the cyclohexene allylic oxidati...The complex of Bis(2,4 pentanedionato) Cobalt has been synthesized.The structure has been characterized by infrared spectra and element analysis.The catalytic activity of the complex in the cyclohexene allylic oxidation by oxygen molecule has been studied.The influences of reaction temperature,time,solvents and additives on the oxidation have been determined.The results show that when the oxidation is carried out under the reaction conditions of 70～80℃,4～10h and 2.0Mpa/O 2,the main product is cyclohexene 2 one.The conversion of cyclohexene increases with the rise of the reaction temperature,time and polarity of solvent.Some additives,such as imidazole,could improve the selectivity of cyclohexene 2 one.展开更多
基金The authors are grateful to the financial support from the Jiangsu Province Natural Science Foundation of China(BK20180935)the National Natural Science Foundation of China(22108236)the Yangzhou City Lüyangjinfeng Project of China.
文摘A series of copper-zirconium oxides with the Cu/Zr ratio ranging from 2/8 to 9/1 were synthesized by the co-precipitation method.The PdO/CumZrn catalysts were prepared and applied to synthesis of allyl ethers via the etherification reactions of allyl chloride with alcohols.The characterization results demonstrated that the presence of ZrO_(2) phase not only can facilitate the high dispersion of Pd^(2+),but can also favor the formation of Cu^(+) via the interaction between CuO and ZrO_(2).The catalytic performance initially increases and then falls off with the progressive increase in the Cu/Zr ratio.The superior performance with a conversion of 53.2%along with a selectivity of 60.3%was achieved over the resulting PdO/Cu7Zr3 catalyst with the highest surface molar proportion of Cu^(+).Good catalytic activity was obtained,because the Cu^(+)-Oα-pairs could enhance the dissociative activation of the-O-H bond in alcohols compared with Cu^(2+)-O2-pairs,subsequently promoting the etherification reactions.
基金supported by National Natural Science Foundation of China (No: 11275090, 51574152)Hunan Provincial Natural Science Foundation for Distinguished Young Scholars (2015JJ1012)Scientific Research Fund of Hunan Provincial Education Department, China (12A116)
文摘We used density functional theory calculations at the B3LYP/6-311G** level for a theoretical study on the complex formed when uranium(Ⅳ) coordinates with N,N'- bis(3-allyl salicylidene)-o-phenylenediamine(BASPDA),i.e.,U(BASPDA)_2.The results indicated that the coordination complex of U(BASPDA)2 could form two different structures with a ratio of 1:2.One was a parallel dislocation structure(PDS-U),in which the two BASPDAs' middle benzene rings adopted a parallel dislocation with an angle of 56.64°,and the other was a staggered finger "+" structure(SFS-U),in which the two BASPDAs employed the staggered finger "+" shape.The binding energies,charge distribution,spectral properties,thermodynamic properties,molecular orbitals and Wiberg bond indices for both PDS-U and SFS-U were calculated and compared with each other.
文摘建立了一种在温和条件下,用可见光催化合成一系列3,4-二氢异喹啉-1(2H)-酮及其衍生物的方法。该方法在室温条件下,以2-烯丙基-N-甲氧基苯甲酰胺为模板底物,以碘化钾作为光催化剂,25 W 460 nm的蓝色LED灯照射下,合成一系列3,4-二氢异喹啉-1(2H)-酮衍生物,最高产率可达到83%。该合成路径具有底物适用范围广、经济实用等特点,为3,4-二氢异喹啉-1(2H)-酮衍生物合成提供了一种经济简便的方法。
文摘The complex of Bis(2,4 pentanedionato) Cobalt has been synthesized.The structure has been characterized by infrared spectra and element analysis.The catalytic activity of the complex in the cyclohexene allylic oxidation by oxygen molecule has been studied.The influences of reaction temperature,time,solvents and additives on the oxidation have been determined.The results show that when the oxidation is carried out under the reaction conditions of 70～80℃,4～10h and 2.0Mpa/O 2,the main product is cyclohexene 2 one.The conversion of cyclohexene increases with the rise of the reaction temperature,time and polarity of solvent.Some additives,such as imidazole,could improve the selectivity of cyclohexene 2 one.
