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具有八-环开放骨架结构的Ni_3(PO_4)_2·8H_2O的水热合成与表征 被引量:2
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作者 李亚丰 崔巍 +3 位作者 朱广山 裘式纶 方千荣 王春雷 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2002年第8期1480-1482,共3页
A new two dimensional 8 ring network nickle phosphate Ni 3(PO 4) 2·8H 2O was synthesized hydrothermally and its structure was determined by means of single crystal X ray diffraction. The Ni 3(PO 4) 2·8H 2O c... A new two dimensional 8 ring network nickle phosphate Ni 3(PO 4) 2·8H 2O was synthesized hydrothermally and its structure was determined by means of single crystal X ray diffraction. The Ni 3(PO 4) 2·8H 2O crystal crystallizes in the monoclinic system, space group C2/m , with M=128.13, a =0\^994 7(2) nm, b =1.321 7(3) nm; c =0.463 6(1) nm; β=104.80(3)°, V =0.589 3(2) nm 3, Z=2, R=0.027 2 and wR =0.057 5. The network structure consists of vertex sharing which results in the formation of undulating 4 ring chains and 8 ring sheets. 展开更多
关键词 八-环开放骨架结构 Ni3(Po4)2·8h2o水热合成 表征 晶体结构 磷酸镍
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二维网状结构双核配合物[Ca_2(C_(10)H_8N_2O_4)_2(DMSO)_2(H_2O)_4]·2DMSO的合成、热分解及晶体结构 被引量:11
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作者 曹文凯 何水样 +4 位作者 赵建社 杨锐 史启祯 王大奇 窦建民 《化学学报》 SCIE CAS CSCD 北大核心 2003年第10期1612-1617,共6页
以 2 羰基丙酸水杨酰腙 (C10 H10 N2 O4)作为配体与碳酸钙在水中反应 ,在DMF (N ,N 二甲基甲酰胺 )和DMSO (二甲基亚砜 )的混合溶剂中培养了单晶 ,其组成为 [Ca2 (C10 H8N2 O4) 2 (DMSO) 2 (H2 O) 4 ]·2DMSO [C10 H8N2 O2 -4为 2 ... 以 2 羰基丙酸水杨酰腙 (C10 H10 N2 O4)作为配体与碳酸钙在水中反应 ,在DMF (N ,N 二甲基甲酰胺 )和DMSO (二甲基亚砜 )的混合溶剂中培养了单晶 ,其组成为 [Ca2 (C10 H8N2 O4) 2 (DMSO) 2 (H2 O) 4 ]·2DMSO [C10 H8N2 O2 -4为 2 羰基丙酸水杨酰腙负离子 ] .测定了单晶的结构 ,该单晶为黄色 ,属单斜晶系 ,空间群为P2 (1) /c,晶胞参数a =1 0 63 4 (3 )nm ,b =1 70 3 5(5)nm ,c =1 2 183 (3 )nm ,β=10 6 180 (5)° ,V =2 1192 (10 )nm3,Dc=1 412Mg·m- 3 ,Z =2 ,F(0 0 0 ) =944,μ =0 53 4mm- 1,GOF =0 867.所测单晶是以 2 羰基丙酸水杨酰腙羧基上的一个氧原子作为桥联的双核钙 (II)配合物 ,两个Ca2 + 均处于五角双锥的七配位环境中 ,锥底为配体 2 羰基丙酸水杨酰腙中的三个配位原子 ,以及另一 2 羰基丙酸水杨酰腙羧基上的桥联氧原子和一个水分子的配位氧原子 ,锥顶为一配位水和一配位的DMSO分子 ,即溶剂DMSO也参与了配位 ,从晶胞结构看 ,晶体中除配位的DMSO分子外 ,还有自由的DMSO溶剂分子 ,它们与配位水以氢键连接存在于晶格之中 ,在空间形成了二维网状结构 .通过TG 展开更多
关键词 二维网状结构 双核配合物 [Ca2(C10h8N2o4)2(DMSo)2(h2o)4] 2DMSo 合成 热分解 晶体结构 二维网状结构双核配合物[Ca2(C10h8N2o4)2(DMSo)2(h2o)4]·2DMSo合成、热分解及晶体结构
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Ag9团簇上由H2和O2直接合成H2O2的密度泛函理论研究
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作者 朱鹏 黎军 陆小华 《南京工业大学学报(自然科学版)》 CAS 北大核心 2019年第4期514-519,共6页
应用密度泛函理论对H2和O2在Ag9团簇上直接合成H2O2的可能性进行研究。计算H2和O2在Ag9团簇上的吸附性质以及由H2和O2生成H2O2的反应机制。结果表明:O2可以在Ag9团簇上稳定吸附,但H2很难与Ag9团簇作用,只有通过Ag—O键才能发生解离。生... 应用密度泛函理论对H2和O2在Ag9团簇上直接合成H2O2的可能性进行研究。计算H2和O2在Ag9团簇上的吸附性质以及由H2和O2生成H2O2的反应机制。结果表明:O2可以在Ag9团簇上稳定吸附,但H2很难与Ag9团簇作用,只有通过Ag—O键才能发生解离。生成H2O2的过程可以分为两个阶段:首先解离两个H2分子形成第一个H2O2分子,其中裂解第二个H2分子为速度控制步骤,所需活化能为108.7kJ/mol;再吸附的O2分子夺取Ag9团簇上两个H原子形成第二个H2O2分子,其中OOH自由基夺取Ag9团簇上的H原子为速度控制步骤,活化能为124.7kJ/mol。与文献中Pd、Au和PdAu团簇上由H2和O2生成H2O2的理论研究结果相比,Ag9团簇具有促进H2和O2直接合成H2O2的催化活性。 展开更多
关键词 直接法合成h2o2 Ag团簇 反应机制 密度泛函理论计算
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H_4SiW_(12)O_(40)/ZrO_2-Al_2O_3催化合成丁醛1,2-丙二醇缩醛
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作者 胡红 刘艳举 +1 位作者 段国滨 杨水金 《精细石油化工进展》 CAS 2012年第8期54-57,共4页
以H_4SiW_(12)O_(40)/ZrO_2-Al_2O_3为催化剂,丁醛和1,2-丙二醇为原料合成了丁醛1,2-丙二醇缩醛,用正交实验法研究了反应物料配比、催化剂用量、带水剂用量及反应时间等因素对反应的影响。结果表明,在n(丁醛):n(1,2-丙二醇)=1:1.5,催化... 以H_4SiW_(12)O_(40)/ZrO_2-Al_2O_3为催化剂,丁醛和1,2-丙二醇为原料合成了丁醛1,2-丙二醇缩醛,用正交实验法研究了反应物料配比、催化剂用量、带水剂用量及反应时间等因素对反应的影响。结果表明,在n(丁醛):n(1,2-丙二醇)=1:1.5,催化剂用量为反应物料总质量的1.5%,带水剂环己烷用量为8 mL,反应时间为45 min的条件下,丁醛1,2-丙二醇缩醛的收率可达82.6%。 展开更多
关键词 丁醛1 2-丙二醇缩醛h4SiW12o40/Zro2-Al2o3催化合成
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Heterogeneous interfacial engineering of Pd/TiO2 with controllable carbon content for improved direct synthesis efficiency of H2O2 被引量:3
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作者 Wei Yan Rui Sun +5 位作者 Meng Li Licheng Li Zhuhong Yang Zelin Hua Xiaohua Lu Chang Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第2期312-321,共10页
Series of heterogeneous interfacial engineered TiO2(C-TiO2) with controllable carbon content were facilely synthesized by incipient-wet impregnation using glucose and subsequent thermal carbonization. The obtained C-T... Series of heterogeneous interfacial engineered TiO2(C-TiO2) with controllable carbon content were facilely synthesized by incipient-wet impregnation using glucose and subsequent thermal carbonization. The obtained C-TiO2 were used as catalytic supports to load Pd nanoparticles for H2 O2 direct synthesis from H2 and O2. The as-prepared samples were systematically studied by transmission electron microscopy(TEM), X-ray photoelectron spectroscopy(XPS), air isothermal microcalorimeter, temperature-programmed reduction of H2(H2-TPR), and so on. The catalytic results showed that H2 O2 productivity and H2O2 selectivity of Pd/C-TiO2 firstly rose with increasing carbon content and then declined. Pd/C-TiO2 catalyst with 1.89 wt% of carbon content showed the best catalytic performance that had 61.2% of selectivity and 2192 mmol H2O2/g Pd/h of productivity, which were significantly better than those of pristine Pd/TiO2(45.2% and 1827 mmol H2O2/g Pd/h). Various characterization results displayed that the carbon species were heterogeneously dispersed on TiO2 surface. Moreover, no obvious geometric transformation in supports and Pd nanoparticles were observed among different catalysts. The superficial hydrophobicity of Pd/C-TiO2 was gradually promoted with increasing carbon content, which led to the corresponding decrease in adsorption energy of H2O2 with catalysts. According to structure-performance relationship analyses, the heterogeneous interfacial engineering of carbon could maintain the interaction of Pd nanoparticles with TiO2 and simultaneously accelerate the H2O2 desorption. Both factors further determined the excellent H2O2 direct synthesis performance of Pd/C-TiO2. 展开更多
关键词 Direct synthesis of h2o2 Tio2 CARBoN heterogeneous interfacial engineering PD
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One-pot Synthesis of 6-Hydroxyhexanoic Acid from Cyclohexanone Catalyzed by Dealuminated HBEA Zeolite with Aqueous 30% H_2O_2 Solution
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作者 Xia Changjiu Yang Yongjia +6 位作者 Zhao Yi Lin Min Zhu Bin Peng Xinxin Dai Zhenyu Luo Yibin Shu Xingtian 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2018年第3期1-6,共6页
The one-pot synthesis of 6-hydroxyhexanoic acid from cyclohexanone via the integrated Baeyer-Villiger oxida-tion and ring opening reaction catalyzed by dealuminated HBEA zeolite has been developed. Under optimized con... The one-pot synthesis of 6-hydroxyhexanoic acid from cyclohexanone via the integrated Baeyer-Villiger oxida-tion and ring opening reaction catalyzed by dealuminated HBEA zeolite has been developed. Under optimized conditions,the cyclohexanone conversion and 6-hydroxyhexanoic acid selectivity are over 95%, respectively. The excellent catalyticperformance is attributed to the activation of carbonyl group of cyclohexanone and the fast hydrolysis and ring opening ofs-caprolactone by both Lewis acid and Br0nsted acid sites under aqueous conditions. 展开更多
关键词 Baeyer-Villiger oxidation cyclohexaxlone 6-hydroxyhexanoic acid ZEoLITE hYDRoLYSIS
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Pd catalysts supported on rGO-TiO_2 composites for direct synthesis of H_2O_2: Modification of Pd^(2+)/Pd^0 ratio and hydrophilic property
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作者 Shuying Chen Rui Tu +1 位作者 Jun Li Xiaohua Lu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2018年第3期534-539,共6页
The use of nanostructured composites as catalyst supports is a promising route to prepare catalysts with high selectivity and productivity. In this work, reduced graphene oxide-TiO_2(rGP-x) composites with a variation... The use of nanostructured composites as catalyst supports is a promising route to prepare catalysts with high selectivity and productivity. In this work, reduced graphene oxide-TiO_2(rGP-x) composites with a variation of reduced graphene oxide(rGO) content were synthesized by hydrothermal method. Pd/rGP-x catalysts were prepared in incipient-wetness impregnation method for the direct synthesis of H_2O_2 from H2 and O_2. The morphology and electronic properties of catalysts were investigated by XPS, TEM, and Raman spectroscopy.The ratio of Pd^(2+)/Pd^0 and the hydrophobicity of the catalysts were increased with the rising content of rGO. As the amount of rGO in the catalysts varied in the range of 0.025 wt%–2 wt%, the selectivity of H_2O_2 exhibited a tendency of increasing firstly and then decreasing from 0.1 wt% to 2 wt%. It indicates that good catalytic performance for H_2O_2 synthesis can be achieved only when appropriate amount of rGO is introduced. The H_2O_2 selectivity and productivity of Pd/r GP-0.025 both improved remarkably compared with Pd/P25. This enhancement originated from the combined effects of the proper ratio of Pd^(2+)/Pd^0 and hydrophobicity of the catalyst. 展开更多
关键词 Direct h2o2 synthesis Reduced graphene oxide hydrothermal Electronic structure Desorption Selectivity
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A new nanocluster polyoxomolybdate [Mo_(36)O_(110)(NO)_4(H_2O)_(14)]·52H_2O:Synthesis, characterization and application in oxidative degradation of common organic dyes
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作者 Mojtaba Amini Mostafa Khaksar +1 位作者 Arkady Ellern L.Keith Woo 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2018年第2期337-342,共6页
Polyoxomolybdate [Mo36O110(NO)4(H2O)14].52H2O was synthesized by a simple one-pot procedure through reducing an acidified mixture of Na2MoO4.2H2O and NH2OH. HCl. In order to create a heterogeneous catalyst system,... Polyoxomolybdate [Mo36O110(NO)4(H2O)14].52H2O was synthesized by a simple one-pot procedure through reducing an acidified mixture of Na2MoO4.2H2O and NH2OH. HCl. In order to create a heterogeneous catalyst system, the polyoxomolybdate was pillared with MgAI-LDH-NO3 by direct ion exchange. These novel materials were carefully analyzed by various chemico-physical methods, The catalytic degradation of methylene blue (MB) and rhodamine B (RB) as common dyes in the presence of MgAl-LDH-1 nanoparticles with aqueous hydrogen peroxide, H2O2, as an oxidizing agent was studied in aqueous solution at room temperature. More importantly, the catalyst can be recovered and reused efficiently up to five consecutive cycles with negligible loss of catalytic activity. 展开更多
关键词 Nanocluster Polyoxomolybdate LDh Methylene blue Rhodamine B
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