O-(E)-1-{1-[(6-Chloropyridin-3-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl} ethyleneamino O-ethyl O-phenyl phosphorothioate
作者:
Zhu, Xiao-Fei;Shi, De-Qing*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(10):o4541-o4542 ISSN:2053-2296
通讯作者:
Shi, De-Qing
作者机构:
[Zhu, Xiao-Fei; Shi, De-Qing] Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Shi, De-Qing] C;Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C19H21ClN5O 3PS, the P atom adopts a distorted tetrahedral configuration. In the crystal structure, weak intermolecular C-H⋯N hydrogen bonds link molecules into chains along the c axis and inversion-related C-H⋯S hydrogen bonds join parallel chains, forming a network; weak π-π stacking interactions also contribute to the stability of the structure. © 2006 International Union of Crystallography. All rights reserved.
语种:
英文
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用密度泛函和从头算理论研究3-苯基-2-(4-硒基吗啉基)-5-苯基乙烯基-4H-咪唑啉-4-酮及其衍生物的构型,电子结构和振动光谱
作者:
蔡萱;曹菲菲;胡利明;叶勇;胡继明
期刊:
光散射学报 ,2006年18(1):64-74 ISSN:1004-5929
作者机构:
武汉大学化学与分子科学学院;华中师范大学化学院;湖北大学化学与材料科学学院;武汉大学化学与分子科学学院 武汉430072;武汉430079
关键词:
杀菌剂;FT-Raman光谱;密度泛函理论;从头算理论
摘要:
本文测得了四种新型杀菌剂3-苯基-2-(4-硒基吗啉基)-5-苯基乙烯基-4H-咪唑啉-4-酮及其衍生物的FT-Raman光谱,并用密度泛函(DFT-B3LYP)和从头算(ab initio RHF)理论在6-31G(d)的水平上研究了化合物基态的构型,电子结构,并计算了它们的振动光谱。结果显示,HOMO-1轨道的主要来自于Sc原子Pz电子的贡献,具有非键轨道特征,而化合物的其它4个最高占有轨道都具有π轨道特征。计算振动波数与实验基频很好的吻合。由于化合物分子结构中存在较大的共轭效应,咪唑啉环内C=N双健的伸缩振动模式明显地向低波数位移50cm^-1。
语种:
中文
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Chloro[(4R,9R,14R,19R)-24-chloro-2,21 -dimethyl-3,10,13,20,26- pentaazatetracyclo[203.1.04.9.014,19]hexacosa-1 (26),2(3),20(21),22(23), 24-pentaene]-(methoxo)manganese(II) chloride monohydrate
作者:
Tu, HY;Wang, CJ;Meng, XG;Zhang, AD
* ( 张爱东 )
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(3):m500-m501 ISSN:2053-2296
作者机构:
[Zhang, AD; Meng, XG; Wang, CJ; Tu, HY] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Zhang, AD] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the title compound, [Mn(CH3O)Cl(C23H 34ClN52)]Cl.H2O, the Mn atom is coordinated by five N atoms from the macrocyclic ligand in an approximately planar pentagonal configuration. In addition, the Mn atom is axially coordinated by a methoxy group and a Cl atom, one on each side of the plane. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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Sn-Co合金作为锂离子二次电池负极材料的研究
作者:
刘平;钱江峰;肖利芬;曹余良;艾新平;...
期刊:
武汉大学学报(理学版) ,2006年52(6):681-684 ISSN:1671-8836
作者机构:
武汉大学,化学与分子科学学院,湖北,武汉,430072;华中师范大学,化学学院,湖北,武汉,430079;[肖利芬] 华中师范大学;[钱江峰; 曹余良; 杨汉西; 艾新平; 刘平] 武汉大学
关键词:
机械球磨;Sn-Co合金;锂离子电池;负极材料
摘要:
在机械球磨过程中通过固相还原反应制备了不同原子配比(2∶1,4∶1,8∶1)的Sn-Co合金,采用X射线衍射(XRD)和电子扫描电镜(SEM)分析了其结构和形貌,并通过组装模拟电池考察了该合金作为锂离子电池负极材料的电化学性能.实验结果表明:具有非晶纳米结构的CoSn4合金具有较高的初始放电容量(430 mAh/g)和良好的循环性能,15周后仍能放出360 mAh/g的容量,容量保持率为84%.
语种:
中文
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2,6-dibenzhydryl-8b,8c-diphenyl-2,3,5,6,8b,8c-hexahydro-2,3a,4a,6,7a, 8a-hexaaza-1H,4Hcyclopenta[def]fluorene-4,8-dione
作者:
Li, YT;Wang, YZ;Wu, AX*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(1):o379-o380 ISSN:2053-2296
通讯作者:
Wu, AX
作者机构:
[Li, YT; Wu, AX; Wang, YZ] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Wu, AX] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
The title compound, C46H40N6O2, is a glycoluril derivative. The molecule contains four fused rings, viz two nearly planar imidazole rings and two non-planar triazine rings. The triazine rings each have a chair conformation. ©2006 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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3-(6-chloropyridin-3-ylmethyl)-6-propyl-6,7-dihydro-3H-1,2,3-triazolo[4, 5-d]pyrimidin-7-imine
作者:
Chen, Xiao-Bao;Shi, De-Qing*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(11):o4780-o4782 ISSN:2053-2296
通讯作者:
Shi, De-Qing
作者机构:
[Shi, De-Qing; Chen, Xiao-Bao] Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430079, Hubei, Peoples R China.
通讯机构:
[Shi, De-Qing] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430079, Hubei, Peoples R China.
摘要:
The title compound, C13H14ClN7, crystallizes with two independent molecules in the asymmetric unit, with little conformational difference between them. The triazole ring is almost coplanar with the pyrimidine ring. Intramolecular CH⋯N and intermolecular C-H⋯N and N-H⋯N hydrogen-bonding interactions contribute to the stability of the structure. In addition, weak C-H⋯π hydrogen-bonding and strong π-π stacking interactions are observed in the crystal structure. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one
作者:
Huang, NY;Ding, MW* ;Luo, ZG;Zuo, N;Zeng, XH;...
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(3):o1022-o1024 ISSN:2053-2296
通讯作者:
Ding, MW
作者机构:
[Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Ding, MW] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
The title compound, C24H18N4O3, has a planar bicyclic imidazolo[5,4-d]pyrimidine core. The planes of the phenyl and methoxyphenoxy substituents form substantial (>30°) dihedral angles with the imidazolopyrimidine plane. Inter-molecular C - H⋯O interactions link the molecules into infinite chains running along the a axis of the crystal structure. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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含咪唑烷基硫醇自组装膜界面铜离子配位研究
作者:
涂海洋;宋艳丽;徐星;李理;张爱东
( 张爱东 )
期刊:
华中师范大学学报(自然科学版) ,2006年40(4):551-555 ISSN:1000-1190
作者机构:
华中师范大学,化学学院,农药与化学生物学教育部重点实验室,武汉,430079;[张爱东; 宋艳丽; 涂海洋; 李理; 徐星] 华中师范大学
关键词:
自组装膜;咪唑;界面配位;循环伏安;交流阻抗
摘要:
合成了6-(咪唑-2-基)-1-己硫醇(IHT),在金电极表面形成纯的自组装膜及其与1-己硫醇(HT)的混合自组装膜,并将这些自组装膜在溶液中与铜离子进行界面配位.应用电化学循环伏安法和交流阻抗谱法探讨了各种自组装膜修饰电极界面配位铜离子的电化学行为.实验结果表明,HT与HT以1∶4比例进行界面组装得到的混合自组装单分子层最致密,自组装膜的铜离子界面配位浓度最高达到2.3×10-11mol/cm2.界面形成的IHT-Cu2+配合物在不同的pH值溶液中测量结果表明该配合物在pH 6.4时是可以稳定存在的.
语种:
中文
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新《高中化学课程标准》培养学生主体性的理念
作者:
叶婧聪;许瑞君
期刊:
中小学实验与装备 ,2006年16(1):48-49 ISSN:1673-6869
作者机构:
华中师范大学化学学院,430079;[许瑞君; 叶婧聪] 华中师范大学
关键词:
化学课程标准;学生主体性;高中;培养;人的全面发展;学生主动参与;现代教育;学生发展;主体性教育;人的主体性
摘要:
人的主体意识的觉醒和人的主体能力的发展,为主体性教育提供了社会基础.主体性是人的全面发展的核心和根本特征,现代教育最重要的特征就是高扬人的主体性. 新《高中化学课程标准》明确指出:给每个学生提供平等的学习机会,使他们都具备适应现代生活及未来社会所必需的化学知识、技能,具备适应未来生存和发展所必备的科学素养,同时又注意使不同水平的学生都能在原来基础上得到良好的发展.《标准》把促进学生发展,即以“学生的发展为本”作为基本出发点,不仅注重学生发展的全体性、全面性、主动性,而且注重发展的差异性和持续性,改变了以往课程中“没有学生”的现象,改革已往过于强调接受学习、死记硬背、机械训练的现象,倡导学生主动参与、乐于探究.这也正是现代教育所倡导的主体性理念.
语种:
中文
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CdS纳米晶薄膜的制备及其光电化学性能的研究
作者:
贾会敏;艾智慧;贾法龙;张礼知
作者机构:
华中师范大学,化学学院,农药与化学生物学教育部重点实验室,武汉,430079
会议名称:
2006年全国太阳能光化学与光催化学术会议
会议时间:
2006-11-06
会议地点:
广州
会议论文集名称:
2006年全国太阳能光化学与光催化学术会议
关键词:
CdS薄膜;纳米晶薄膜;光电化学性能;太阳能电池;Ⅵ族半导体材料;水热方法
摘要:
Ⅱ-Ⅵ族半导体材料CdS薄膜因其对可见光敏感,是一种重要的光敏半导体,被广泛应用于光电子学领域.在光伏转换方面,CdS作为直接能隙半导体,其带隙约为2.42 eV,是一种良好的窗口层材料和过渡层材料,在太阳能电池、传感器、光探测器、激光材料、光波导器件和非线性集成光学器件等领域具有广阔的应用前景.CdS薄膜的制备方法主要有真空热蒸发、溅射、激光蒸发、电沉积和化学沉积等等.本文将水热方法和传统的doctor-blade技术相结合制备了CdS纳米晶薄膜,并研究了不同的煅烧温度对CdS薄膜电极光电性能的影响,从而找出最佳的实验条件。
语种:
中文
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One-pot synthesis of spring-like superstructures consisting of layered tin(IV) hydrogen phosphate nanodisks
作者:
Qiao, H;Jia, FL;Ai, ZH;Li, ZS;Zhang, LZ*
期刊:
Chemical Communications ,2006年(19):2033-2035 ISSN:1359-7345
通讯作者:
Zhang, LZ
作者机构:
[Zhang, LZ] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.;Nanjing Univ, Dept Phys, Ecomat & Renewable Energy Res Ctrr, Jiangsu 210093, Peoples R China.
通讯机构:
[Zhang, LZ] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.
摘要:
Spring-like superstructures consisting of layered tin(IV) hydrogen phosphate nanodisks can be obtained via a one-pot solvothermal reaction of tin tetrachloride and phosphoric acid in ethanol. These superstructures are active anode materials for the lithium-ion battery.
语种:
英文
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1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate
作者:
Luo, YP* ;Zhou, HB
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(2):o538-o539 ISSN:2053-2296
通讯作者:
Luo, YP
作者机构:
[Luo, YP] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.;S China Trop Agr Univ, Environm & Plant Protect Coll, Dan Zhou 571737, Peoples R China.
通讯机构:
[Luo, YP] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C21H12Cl3N 3O·C4H9O, the six-membered heterocyclic ring lies on a threefold rotation axis and adopts a planar conformation. The molecule exhibits a propeller-like shape. The acetone solvent molecule is disordered. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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An efficient intramolecular Stetter reaction in room temperature ionic liquids promoted by microwave irradiation
作者:
Zhou, Zhong-Zhen;Ji, Feng-Qing;Cao, Min;Yang, Guang-Fu*
期刊:
ADVANCED SYNTHESIS & CATALYSIS ,2006年348(14):1826-1830 ISSN:1615-4150
通讯作者:
Yang, Guang-Fu
作者机构:
[Yang, Guang-Fu; Cao, Min; Zhou, Zhong-Zhen; Ji, Feng-Qing; Yang, GF] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Yang, Guang-Fu] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词:
Chroman-4-ones;Ionic liquids;Microwave heating;Stetter reaction
摘要:
This communication describes the first report of a microwave-assisted intramolecular Stetter reaction using imidazolium-type room temperature ionic liquids (RTILs) as solvents, with thiazolium salts and Et3N as catalysts. The features such as good to excellent yields, shorter reaction time (5-20 min), and recyclable and reusable ionic liquid and catalyst make this method an environmentally benign and highly efficient procedure for the preparation of chromanone derivatives. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
语种:
英文
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中学化学教育中的绿色化学
作者:
曹琼瑶
期刊:
科技资讯 ,2006年(17):195 ISSN:1672-3791
作者机构:
华中师范大学化学学院,430079
关键词:
绿色化学;中学化学教育;化学实验;化学教师
摘要:
随着时代的发展,化学已成为我们生活中密不可分的一部分.但日益严重的环境问题不断冲击着我们的思想.本文就以绿色化学为主线,从中学绿色化学教育、实验改进、教师绿色意识提高三方面来阐述这个问题.>>详细
语种:
中文
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Bis(benzimidazol-2-ylmethyl)amine-ethanolwater (2/1/2)
作者:
Meng, Xiang-Gao* ;Mei, Fu-Sheng;Liao, Zhan-Ru
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(9):o3989-o3991 ISSN:2053-2296
通讯作者:
Meng, Xiang-Gao
作者机构:
[Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru] Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Meng, Xiang-Gao] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
摘要:
In the asymmetric unit of the structure of the solvate of bis(benzimidazol-2-yl-methyl)amine (IDB), 2C16H15N 5-C2H6O·2H2O, there are two molecules of IDB, two uncoordinated water molecules and one ethanol solvent molecule. In the crystal structure, IDB, water and ethanol molecules are connected into a three-dimensional network via intermolecular N - H⋯O, O - H⋯N, O - H⋯O and C -H⋯π(arene) interactions. © 2006 International Union of Crystallography. All rights reserved.
语种:
英文
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2,4位取代-6-氨基-7-氟-2H-1,4-苯并噁嗪-3(4H)-酮的合成
作者:
阳海;黄引;李文安;庞怀林;尹笃林
作者机构:
湖南师范大学,化学化工学院,湖南,长沙,410081;华中师范大学,化学学院,湖北,武汉,430079;湖南化工研究院,国家农药创制工程技术研究中心,湖南,长沙,410007
会议名称:
中国化工学会精细化工专业委员会全国第93次学术会议
会议时间:
2006-09-22
会议地点:
湖南湘潭
会议论文集名称:
中国化工学会精细化工专业委员会全国第93次学术会议论文集
关键词:
农药中间体;2,4-二氟硝基苯;1,4-苯并噁嗪-3(4H)-酮;化学合成
摘要:
以2,4-二氟硝基苯为原料,经过水解、醚化、关环、硝化、取代、还原六步反应合成中间体2,4位取代-6-氨基-7-氟-2H-1,4-苯并噁嗪-3(4H)-酮,总收率达到64%,含量超过95%,该方法具有收率高、产品含量高、操作简单等特点.
语种:
中文
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Ethyl 9-hydroxyfluorene-9-carboxylate: Chains of centrosymmetric rings built from O-H⋯O and C-H⋯π(arene) hydrogen bonds
作者:
Dai, Xu-Ya;Jin, Long-Fei* ;Song, Fa-Hui;Wu, Bai-Cheng
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(11):o5340-o5342 ISSN:2053-2296
通讯作者:
Jin, Long-Fei
作者机构:
[Jin, Long-Fei; Song, Fa-Hui; Dai, Xu-Ya; Wu, Bai-Cheng] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Jin, Long-Fei] C;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C16H14O3, there are two independent molecules in the asymmetric unit. In one molecule, there is an intramolecular hydrogen bond involving the hydroxyl group and the O atom of the carbonyl group. In the crystal structure, molecules are linked into chains of centrosymmetric rings by a combination of O-H⋯O and C- H⋯π(arene) hydrogen bonds. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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水滑石的合成及修饰电极的电化学行为
作者:
徐芳;王军涛;费锡明
期刊:
合成化学 ,2006年14(2):175-177 ISSN:1005-1511
作者机构:
华中师范大学,化学学院,湖北,武汉,430079
关键词:
水滑石;修饰电极;电化学
摘要:
采用共沉淀法合成了摩尔比为3 : 1的镍铝、钴铝、镁铝碳酸型水滑石.采用循环伏安法对其所修饰的玻碳电极的电化学行为进行了研究,结果表明仅有镍铝水滑石所修饰的玻碳电极具有较好的电化学行为.
语种:
中文
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Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate
作者:
Li, Ming-Tian;Wang, Cheng-Gang* ;Fu, Xu-Cheng
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(9):m434-m436 ISSN:2053-2296
通讯作者:
Wang, Cheng-Gang
作者机构:
[Wang, Cheng-Gang] Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.;W Anhui Univ, Dept Biol & Chem, Liu An 237000, Anhui, Peoples R China.
通讯机构:
[Wang, Cheng-Gang] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.
摘要:
In the title compound, [Cd(C<inf>2</inf>H<inf>8</inf>N<inf>2</inf>) <inf>2</inf>(H<inf>2</inf>O)<inf>2</inf>](C<inf>10</inf>H<inf>8</inf>NO <inf>3</inf>S)<inf>2</inf>·-2H<inf>2</inf>O, the Cd<sup>II</sup> atom, located on an inversion centre, has a distorted octahedral coordination geometry formed by two ethylenediamine and two water molecules. 4-Aminonaphthalene-1- sulfonate acts as a counter-ion to balance the charge, and two antiparallel anions showing strong π-πstacking interactions are linked by paired N - H&mellip;O(sulfonate) hydrogen bonds into an isolated R<inf>2</inf> <sup>2</sup>(16) dimer. The crystal structure is stabilized by the π-πstacking interactions and hydrogen bonds. ©2006 International Union of Crystallography.
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2,4,6-trimethylpyridine-3,5-dicarbonitrile
作者:
Wang, Hong-Li* ;Zhang, Bin;Dai, Yi
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(7):o2765-o2767 ISSN:2053-2296
通讯作者:
Wang, Hong-Li
作者机构:
[Zhang, Bin; Dai, Yi; Wang, Hong-Li; Wang, HL] Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.
通讯机构:
[Wang, Hong-Li] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.
摘要:
The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C-H⋯N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis. © 2006 International Union of Crystallography. All rights reserved.
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