一种含锡氧杂环结构的二丁基锡α-萘乙酸酯及制备方法与应用
发明/设计人:
冯泳兰;邝代治;蒋伍玖;张复兴;庾江喜;...
申请/专利权人:
衡阳师范学院
申请/专利号:
CN201310406440.2
申请时间:
2013-9-9
公开号:
CN103450252A
公开时间:
2013-12-18
摘要:
本发明公开的一种含锡氧杂环结构的二丁基锡α-萘乙酸酯,为如下结构式(1)的配合物,其中R代表正丁基。本发明还公开了该含锡氧杂环结构的二丁基锡α-萘乙酸酯的制备方法以及在制备抗肿瘤药物中的应用。
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A graphene oxide-based electrochemical sensor for sensitive determination of 4-nitrophenol
作者:
Li, Junhua* ;Kuang, Daizhi;Feng, Yonglan;Zhang, Fuxing;Xu, Zhifeng;...
期刊:
Journal of Hazardous Materials ,2012年201-202:250-259 ISSN:0304-3894
通讯作者:
Li, Junhua
作者机构:
[Liu, Mengqin; Xu, Zhifeng; Li, Junhua; Zhang, Fuxing; Feng, Yonglan; Kuang, Daizhi] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Liu, Mengqin; Xu, Zhifeng; Li, Junhua; Zhang, Fuxing; Feng, Yonglan; Kuang, Daizhi] Hengyang Normal Univ, Hunan Prov College, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Li, Junhua] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
4-Nitrophenol;Electrochemical sensor;Graphene oxide;Sensitive detection
摘要:
A graphene oxide (GO) film coated glassy carbon electrode (GCE) was fabricated for sensitive determination of 4-nitrophenol (4-NP). The GO-based sensor was characterized by scanning electron microscope, atomic force microscopy and electrochemical impedance spectroscopy. The electrochemical behaviors of 4-NP at the GO-film coated GCE were investigated in detail. In 0.1 M acetate buffer with a pH of 4.8, 4-NP yields a very sensitive and well-defined reduction peak at the GO-modified GCE. It is found that the GO film exhibits obvious electrocatalytic activity toward the reduction of 4-NP since it not only increases the reduction peak current but also lowers the reduction overpotential. Based on this, an electrochemical method was proposed for the direct determination of 4-NP. Various kinetic parameters such as transfer electron number, transfer proton number and standard heterogeneous rate constant were calculated, and various experimental parameters were also optimized. Under the optimal conditions, the reduction peak current varies linearly with the concentration of 4-NP ranging from 0.1 to 120 mu M, and the detection limit is 0.02 mu M at the signal noise ratio of 3. Moreover, the fabricated sensor presented high selectivity and long-term stability. This electrochemical sensor was further applied to determine 4-NP in real water samples, and it showed great promise for simple, sensitive, and quantitative detection of 4-NP. (C) 2011 Elsevier B.V. All rights reserved.
语种:
英文
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Synthesis, Crystal Structure and Quantum Chemistry of Tris[(2-methyl- 2-phenyl)propyl](2,4-dinitro-phenolato)tin
作者:
Zhu Xiao-Ming;Feng Yong-Lan;Kuang Dai-Zhi* ;Zhang Fu-Xing;Wang Jian-Qiu;...
期刊:
Chinese Journal of Structural Chemistry ,2012年31(9):1241-1246 ISSN:0254-5861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Jiang Wu-Jiu; Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Wang Jian-Qiu; Yu Jiang-Xi; Zhu Xiao-Ming] Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;[Zhu Xiao-Ming] Xiangtan Univ, Key Lab Environm Friendly Chem & Applicat, Coll Chem, Minist Educ, Xiangtan 411105, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
tris[(2-methyl-2-phenyl)propyl](2,4-dinitro-phenolato)tin(Ⅳ);synthesis;crystal structure;quantum chemistry
摘要:
The tris[(2-methyl-2-phenyl)propyl](2,4-dinitro-phenolato)tin was synthesized by the reaction of bis[tri(2-methyl-2-phenyl)propyltin] oxide with 2,4-dinitrophenol. The compound was characterized by IR, 1H NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 0.9649(0), b = 1.0087(8), c = 3.4867(4) nm, β = 90.965(7) , Z = 4, V = 3.3933(7) nm3, Dc = 1.369 Mg·m-3, (MoKa) = 0.796 mm-1, F(000) = 1440, R = 0.0345 and wR = 0.0821. The tin atom has a distorted tetrahedral geometry. The 2D network structure of the complex is formed by hydrogen bonds and π-π effects. The stabilities, orbital energies and composition characteristics of some frontier molecular orbitals of the complexes have been investigated with the aid of G98W software.
语种:
英文
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4’-对甲氧基苯基三联吡啶铜(Ⅱ)配合物的合成及其晶体结构
作者:
付伟伟;刘洋;邝代治;张复兴
作者机构:
[付伟伟; 刘洋; 邝代治; 张复兴] 衡阳师范学院化学与材料科学系,衡阳市黄白路165 号,421008
会议名称:
中国化学会第28届学术年会
会议时间:
2012-4-13
会议地点:
成都
会议主办单位:
中国化学会
会议论文集名称:
中国化学会第28届学术年会论文集
关键词:
三联吡啶;铜配合物;晶体结构
摘要:
<正>三联吡啶配合物在光电磁等方面得到了广泛的研究和应用[1-2]。在以对甲氧基苯甲醛与2-乙酰基吡啶发生michael加成反应的基础上,通过关环作用,得到了4’-对甲氧基苯基三联吡啶(4’-MeOPhtpy)。水热和溶
语种:
中文
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二正丁基锡二(邻氯苯甲酸)酯配合物{[n-Bu_2Sn(O_2CC_6H_4Cl)]_2O}_2的微波固相合成、结构及体外抗癌活性
作者:
张复兴;王剑秋;邝代治;冯泳兰;许志锋;...
期刊:
应用化学 ,2012年29(5):520-526 ISSN:1000-0518
作者机构:
衡阳师范学院化学与材料科学系,功能金属有机材料湖南省普通高等学校重点实验室 衡阳,421008;[庾江喜; 冯泳兰; 邝代治; 王剑秋; 张复兴; 许志锋] 功能金属有机材料湖南省普通高等学校
关键词:
微波固相合成;二正丁基锡邻氯苯甲酸酯;晶体结构;从头计算
摘要:
二正丁基氧化锡和邻氯苯甲酸按物质的量比1∶2,通过微波固相合成法合成了二正丁基锡邻氯苯甲酸酯配合物{[n-Bu2Sn(O2CC6H4Cl)]2O}2。经X射线衍射方法测定了其晶体结构,配合物属三斜晶系,空间群为P 1,晶体学参数a=1.17653(4)nm,b=1.20672(4)nm,c=2.74090(9)nm,α=80.493(2)°,β=83.995(2)°,γ=64.260(2)°,V=3.4547(2)nm3,Z=2,Dc=1.525 g/cm3,μ(MoKα)=16.34 cm-1,F(000)=1592,R1=0.0414,wR2=0.1349。晶体中每一个结构单元包含了2个键参数完全不同的以Sn2O2构成的平面四元环为中心环的二聚体结构分子,锡原子均为五配位的畸变三角双锥构型。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及部分前沿分子轨道的组成特征。
语种:
中文
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两个有机锡呋喃-2-甲酸酯化合物的合成、结构及量子化学研究
作者:
Feng Yong-Lan;Yu Jiang-Xi;Kuang Dai-Zhi* ;Yin Du-Lin;Zhang Fu-Xing;...
期刊:
无机化学学报 ,2012年28(8):1629-1634 ISSN:1001-4861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Wang Jian-Qin; Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Yu Jiang-Xi] Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;[Yin Du-Lin] Hunan Normal Univ, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
有机锡;配位聚合物;合成;晶体结构
摘要:
氧化双[三(2-甲基-2-苯基)丙基锡]、三苄基氯化锡分别与呋喃-2-甲酸反应,合成了配位聚合物{[(C_4H_3O)CO_2]Sn(CH_2CPhMe_2)_3}_n(1)和{[(C_4H_3O)CO_2]Sn(CH_2Ph)_3}_n(2)。经IR、~1H NMR、元素分析和X射线衍射表征结构。1和2均属单斜晶系,配合物1空间群P2_1/n,晶体学参数:a=1.122 06(7)nm,b=1.747 60(11)nm,c=1.632 62(10)nm,β=91.503(3)°,Z=4,V=3.200 3(3)nm~3,D_c=1.306 g.cm~(-3),μ(Mo Kα)=0.829 mm~(-1),F(000)=1 304,R_1=0.023 9,wR_2=0.059 4。配合物2空间群C2/c,晶体学参数:a=2.939 49(13)nm,b=1.035 36(4)nm,c=1.976 64(9)nm,β=129.582(2)°,Z=8,V=4.636 4(3)nm~3,D_c=1.442 g.cm~(-3),μ(Mo Kα)=1.125 mm~(-1),F(000)=2 032,R_1=0.024 2,wR_2=0.060 6。配合物1和2的中心锡原子分别为四面体和三角双锥构型。通过分子间氢键作用,1和2分别形成三维结构。对配合物进行了量子化学从头计算,探讨了配合物的稳定性、分子轨道能量及一些前沿分子轨道的组成特征。
语种:
中文
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三环已基锡2-氨基-6-氯苯甲酸酯配合物的合成、结构及量子化学研究
作者:
Zhang Fu-Xing* ;Wang Jian-Qiu;Kuang Dai-Zhi;Feng Yong-Lan;Chen Zhi-Ming;...
期刊:
无机化学学报 ,2012年28(9):1890-1894 ISSN:1001-4861
通讯作者:
Zhang Fu-Xing
作者机构:
[Zhang Fu-Xing] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Zhang Fu-Xing] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
三环己基锡2-氨基-6-氯苯甲酸酯;合成;晶体结构;从头计算;循环伏安
摘要:
三环己基氢氧化锡与2-氨基-6-氯苯甲酸按物质的量比1∶1在苯溶剂中反应合成了三环己基锡2-氨基-6-氯苯甲酸酯。经X-射线衍射方法测定了其晶体结构,配合物属单斜晶系,空间群为P2_1/c,晶体学参数a=0.952 00(4)nm,b=0.918 55(3)nm,c=2.909 12(12)nm,β=93.187(2)°,V=2.539 97(17)nm~3,Z=4,D_c=1.409 g.cm~(-3),μ(Mo Kα)=11.31 cm~(-1),F(000)=1 112,R_1=0.038 2,wR_2=0.098 6。中心锡与环己基碳原子和氧原子构成畸型四面体。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。通过循环伏安法研究了其电化学性质。
语种:
中文
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三联吡啶合成方法概述
作者:
付伟伟;杨君芝;吉芳艳;王宏;张复兴;...
期刊:
衡阳师范学院学报 ,2012年33(03):74-77 ISSN:1673-0313
作者机构:
衡阳师范学院化学与材料科学系,湖南衡阳421008 功能金属有机材料湖南省普通高等学校重点实验室,湖南衡阳421008;衡阳师范学院化学与材料科学系,湖南衡阳,421008;[王宏; 张复兴; 吉芳艳; 付伟伟; 易正戟; 杨君芝] 衡阳师范学院
关键词:
三联吡啶;成环法;偶联法
摘要:
对三联吡啶的主要合成方法及反应历程等作了简要介绍和评价。成环法和偶联法都是应用较多、潜力较大的合成方法。
语种:
中文
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A novel electrochemical method for sensitive detection of melamine in infant formula and milk using ascorbic acid as recognition element
作者:
Li, Junhua* ;Kuang, Daizhi;Feng, Yonglan;Zhang, Fuzing;Xu, Zhifeng;...
期刊:
Bulletin of the Korean Chemical Society ,2012年33(8):2499-2507 ISSN:1229-5949
通讯作者:
Li, Junhua
作者机构:
[Liu, Mengqin; Zhang, Fuzing; Xu, Zhifeng; Li, Junhua; Feng, Yonglan; Kuang, Daizhi] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Li, Junhua] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
Electrochemical detection;Melamine;Ascorbic acid;Recognition element
摘要:
A novel and convenient electrochemical method has been developed for sensitive determination of melamine (MEL) using ascorbic acid (AA) as the recognition element. The working electrode employed in this method was modified with the nanocomposite of hydroxyapatite/carbon nanotubes to enhance the current signal of recognition element. The interaction between MEL and AA was investigated by fourier transform infrared spectroscopy and cyclic voltammetry, and the experimental results indicated that hydrogen bonding was formed between MEL and AA. Because of the existing hydrogen bonding and electrostatic interaction, the anodic peak current of AA was decreased obviously while the non-electroactive MEL added in. It illustrated that the MEL acted as an inhibitor to the oxidation of AA and the decreasing signals can be used to detect MEL. Under the optimal conditions, the decrease in anodic peak current of AA was proportional to the MEL concentrations ranging from 10 to 350 nM, with a detection limit of 1.5 nM. Finally this newly-proposed method was successfully employed to detect MEL in infant formula and milk, and good recovery was achieved.
语种:
英文
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A highly efficient Cu-catalyst system for N-arylation of azoles in water
作者:
Wang, Deping* ;Zhang, Fuxing;Kuang, Daizhi;Yu, Jiangxi;Li, Junhua
期刊:
Green Chemistry ,2012年14(5):1268-1271 ISSN:1463-9262
通讯作者:
Wang, Deping
作者机构:
[Yu, Jiangxi; Li, Junhua; Zhang, Fuxing; Wang, Deping; Kuang, Daizhi] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Yu, Jiangxi; Li, Junhua; Zhang, Fuxing; Kuang, Daizhi] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Peoples R China.
通讯机构:
[Wang, Deping] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要:
6,7-Dihydroquinolin-8(5H)-one oxime (L3) was found to serve as a superior ligand for the CuI-catalyzed N-arylation of imidazoles with aryl iodides, bromides, and electron-deficient chlorides in water. Moreover, the CuI/L3 catalyst system enabled the coupling reactions to take place smoothly with high yields under a low catalyst loading (0.1-1 mol% CuI and 0.2-2 mol% L3). © 2012 The Royal Society of Chemistry.
语种:
英文
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ChemInform Abstract: A Highly Efficient Cu-Catalyst System for N-Arylation of Azoles in Water.
作者:
Deping Wang;Fuxing Zhang;Daizhi Kuang;Jiangxi Yu;Junhua Li
期刊:
ChemInform ,2012年43(40):no-no ISSN:1522-2667
作者机构:
[Deping Wang; Fuxing Zhang; Daizhi Kuang; Jiangxi Yu; Junhua Li] Dep. Chem. Mater. Sci., Hengyang Norm. Univ., Hengyang, Hunan 421001, Peop. Rep. China
关键词:
imidazole derivatives;amination, N-alkylation, N-arylation;triazole derivatives;pyrazole derivatives;green chemistry
摘要:
The combination of CuI, an oxime, and Bu4NI is successfully applied as a catalytic system for the N-arylation of imidazoles (I) and (VI), benzimidazole (IV), pyrazole (IX), and triazole (XII).
语种:
英文
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Glucose biosensor based on glucose oxidase immobilized on a nanofilm composed of mesoporous hydroxyapatite, titanium dioxide, and modified with multi-walled carbon nanotubes
作者:
Li, Junhua* ;Kuang, Daizhi;Feng, Yonglan;Zhang, Fuxing;Liu, Mengqin
期刊:
Microchimica Acta ,2012年176(1-2):73-80 ISSN:0026-3672
通讯作者:
Li, Junhua
作者机构:
[Liu, Mengqin; Li, Junhua; Zhang, Fuxing; Feng, Yonglan; Kuang, Daizhi] Hengyang Normal Univ, Hunan Prov Coll, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Li, Junhua] H;Hengyang Normal Univ, Hunan Prov Coll, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
Glucose biosensor;Glucose oxidase;Nanocomposite;Electrochemical determination
摘要:
We report on a highly sensitive glucose biosensor that was fabricated from a composite made from mesoporous hydroxyapatite and mesoporous titanium dioxide which then were ultrasonically mixed with multi-walled carbon nanotubes to form a rough nanocomposite film. This film served as a platform to immobilize glucose oxidase onto a glassy carbon electrode. The morphological and electrochemical properties of the film were examined by scanning electron microscopy and electrochemical impedance spectroscopy. Cyclic voltammetry and chronoamperometry were used to characterize the electrochemical performances of the biosensor which exhibited excellent electrocatalytic activity to the oxidation of glucose. At an operating potential of 0. 3 V and pH 6. 8, the sensor displays a sensitivity of 57. 0 μA mM -1 cm -2, a response time of <5 s, a linear dynamic range from 0. 01 to 15. 2 mM, a correlation coefficient of 0. 9985, and a detection limit of 2 μM at an SNR of 3. No interferences are found for uric acid, ascorbic acid, dopamine and most carbohydrates. The sensor is stable and was successfully applied to the determination of glucose in real samples. © 2011 Springer-Verlag.
语种:
英文
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双氧桥联四核二丁基锡(2,4,6-三甲基)苯甲酸酯配合物的合成、结构、量子化学及热稳定性研究
作者:
Jiang Wu-Jiu;Kuang Dai-Zhi* ;Yu Jiang-Xi;Feng Yong-Lan;Zhang Fu-Xing;...
期刊:
无机化学学报 ,2012年28(11):2363-2368 ISSN:1001-4861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Kuang Dai-Zhi] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
有机锡氧化合物;合成;晶体结构;量子化学;热稳定性
摘要:
2,4,6-三甲基苯甲酸(TMBA)与(n-Bu)_2Sn_O反应,合成氧桥联的四核二丁基锡(2,4,6-三甲基)苯甲酸酯配合物([(n-Bu)_2Sn (2,4,6-TMBA)]_2O}_2,经元素分析、~1H NMR、~(13)C NMR、IR和X-射线衍射表征分子结构,该配合物晶体属三斜晶系,空间群P1-bar,晶体学参数:a=1.272 56(2) nm,b=1.322 73(2)nm,c=1.437 25(3) nm,α=111.197 0(10)°,β=99.691 0(10)°,y=111.790 0(10)°, Z=1, V= 1.962 35(6) nm3,Dc=1.368 g·cm~(-3),μ(Mo Kα)=1.308 mm~(-1), F(000)=828, R=0.040 9, wR=0.109 1。配合物以Sn_2O_2平面四元环中心对称,每个桥联氧原子还连接一个环外锡,形成双氧桥联四核二丁基锡结构。环上与环外Sn原子均呈现五配位畸变三角双锥构型。利用量子化学G03W软件,在Lanl2dz基组对配合物的稳定性、分子轨道能量、原子净电荷布居及前沿分子轨道组成进行了研究。并通过热重分析对配合物进行了热稳定性研究。
语种:
中文
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三联吡啶Pt炔配合物二阶非线性光学性质的理论研究
作者:
付伟伟;邝代治;张复兴;曾荣英
作者机构:
[付伟伟; 邝代治; 张复兴; 曾荣英] 衡阳师范学院化学与材料科学系
会议名称:
中国化学会第28届学术年会
会议时间:
2012-04-13
会议地点:
中国四川成都
关键词:
三联吡啶;Pt配合物;炔基;二阶非线性光学;一阶超极化率
摘要:
<正>金属有机配合物在非线性光学材料的研究中得到了重视[1],它们一般具有比较大的非线性光学响应,易于裁剪和集成到复合材料中。金属离子具有不同的价态和不同的配位方式,使其具有更强的设计灵活性,一些不稳定的结构基元,例如炔基也能够被稳定的结合在金属离子上,
语种:
中文
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一种比色探针检测邻苯二甲酸酯的方法
发明/设计人:
刘梦琴;谢静;冯泳兰;张复兴;李俊华;...
申请/专利权人:
衡阳师范学院
申请/专利号:
CN201210281033.9
申请时间:
2012-8-9
公开号:
CN102818803A
公开时间:
2012-12-12
主申请人地址:
421008 湖南省衡阳市雁峰区黄白路165号
摘要:
一种比色探针检测邻苯二甲酸酯的方法,其特征是经过制备纳米金、样品前处理、吸收光谱绘制、含量测定操作步骤。操作简便、快速,灵敏度高、检出限可达10-6mol·L-1,回收率在98%~102%,费用低,可方便进行现场即时检测。所述纳米金对邻苯二甲酸二丁酯、邻苯二甲酸二正辛酯、邻苯二甲酸二异辛酯具有良好的选择性,广泛适用于环境水样、一次性饭盒、塑料袋等多种样品中邻苯二甲酸酯类环境激素的检测。
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三维杂金属Cu(Ⅰ)-Eu(Ⅲ)配位聚合物的溶剂热合成及荧光性质
作者:
陈满生;邝代治;张春华;张复兴;陈志敏
作者机构:
[陈满生; 邝代治; 张春华; 张复兴; 陈志敏] 功能金属有机材料湖南省普通高等学校重点实验室,衡阳师范学院化学与材料科学系 衡阳 421008
会议名称:
中国化学会第28届学术年会
会议时间:
2012-4-13
会议地点:
成都
会议主办单位:
中国化学会
会议论文集名称:
中国化学会第28届学术年会论文集
关键词:
杂金属配合物;溶剂热反应;金属有机框架
摘要:
<正>配位聚合物由于其结构和功能多样性而受到人们关注1,2。我们利用溶剂热法合成了一个新的Cu(I)-Eu(III)化合物[CuEu2(INAIP)3(HCOO)(H2O)3].3H2O(1)[H2INAIP=5-异烟酰胺基异酞酸],通过X-射线单晶衍射仪测
语种:
中文
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两个三环己基锡吡啶羧酸酯化合物的合成、结构及量子化学研究
作者:
Yu Jiang-Xi;Feng Yong-Lan;Kuang Dai-Zhi* ;Yin Du-Lin;Zhang Fu-Xing;...
期刊:
无机化学学报 ,2012年28(2):279-284 ISSN:1001-4861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Wang Jian-Qiu; Yu Jiang-Xi] Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;[Yin Du-Lin] Hunan Normal Univ, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
有机锡;合成;晶体结构;量子化学
摘要:
以2-氯烟酸(ClPyCOOH)、吡啶-3-甲酸(PyCOOH)分别与三环己基氢氧化锡反应,合成了两个三环己基锡杂环羧酸酯[Cy_3Sn(ClPyCOO)(H_2O)](1),[Cy_3Sn(PyCOO)(H_2O)](2)(Cy为环己基)。经IR、~1H NMR、元素分析和X射线衍射表征结构。配合物均属单斜晶系,空间群C2/c。晶体学参数:化合物1,a=2.018 97(5)nm,b=1.361 16(4)nm,c=1.957 58(5)nm,β=104.815 0(10)°,Z=8,V=5.200 9(2)nm~3,D_c=1.386 g?cm~(-3),μ(Mo Kα)=1.108 mm~(-1),F(000)=2 240,R_1=0.043 7,wR_2=0.138 0。化合物2,a=2.005 44(14)nm,b=1.355 58(10)nm,c=1.911 38(14)nm,β=107.260(3)°,Z=8,V=4.962 2(6)nm~3,D_c=1.361 g?cm~(-3),μ(Mo Kα)=1.052 mm~(-1),F(000)=2 112,R_1=0.035 2,wR_2=0.112 5。中心锡原子均为五配位三角双锥构型。分子间存在氢键作用,配合物1、2分别形成二维结构。利用量子化学G98W软件,在LANL2DZ基组对配合物的稳定性、前沿分子轨道组成及能量进行研究。
语种:
中文
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The Crystal Structure of 4'-(3-Nitrophenyl)-2,2':6',2"-Terpyridine Iron Complex
作者:
Wei-Wei Fu;Fu-Xing Zhang;Dai-Zhi Kuang
作者机构:
[Wei-Wei Fu; Fu-Xing Zhang; Dai-Zhi Kuang] Department of Chemistry and Materials Science,Hengyang Normal University,,Hengyang,Hunan,421008;[Wei-Wei Fu; Fu-Xing Zhang; Dai-Zhi Kuang] Key Laboratory of Functional Organometallic Materials of Hengyang Normal University,College of Hunan Province,Hengyang,Hunan,421008
会议名称:
中国化学会第六届全国结构化学学术会议
会议时间:
2012-10-22
会议地点:
苏州
会议主办单位:
中国化学会
会议论文集名称:
中国化学会第六届全国结构化学学术会议论文集
语种:
英文
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二正丁基锡邻甲基水杨酸酯配合物的合成、结构及量子化学研究
作者:
Zhang Fu-Xing* ;Wang Jian-Qiu;Kuang Dai-Zhi;Feng Yong-Lan;Xu Zhi-Feng;...
期刊:
无机化学学报 ,2012年28(6):1195-1199 ISSN:1001-4861
通讯作者:
Zhang Fu-Xing
作者机构:
[Zhang Fu-Xing] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;Hengyang Normal Univ, Key Lab Funct Organometall Mat, Coll Hunan Prov, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Zhang Fu-Xing] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
二正丁基锡邻甲基水杨酸酯;合成;晶体结构;从头计算
摘要:
二正丁基氧化锡和邻甲基水杨酸按物质的量比1∶1反应,合成了二正丁基锡邻甲基水杨酸酯配合物{[n-Bu_2Sn(O_2CC_6H_3OHCH_3)]_2O}2。经X-射线衍射方法测定了其晶体结构,配合物属单斜晶系,空间群为P2_1/c,晶体学参数a=2.436 89(10)nm,b=1.909 58(8)nm,c=1.632 04(7)nm,β=107.467 0(10)°,V=7.244 4(5)nm~3,Z=4,D_c=1.438 g.cm~(-3),μ(Mo Kα)=14.19 cm~(-1),F(000)=3 184,R_1=0.034 7,wR_2=0.084 7。晶体中每一个结构基元包含了2个结构相同而空间取向不同的以Sn2O_2构成的平面四元环为中心环的双核结构分子,锡原子均为五配位的畸变三角双锥构型。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及部分前沿分子轨道的组成特征。
语种:
中文
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二聚有机锡配合物[(n-Bu)_2Sn(H_2O)C_5H_3N(CO_2)_2]_2的合成、结构和量子化学研究
作者:
张志坚;邝代治;张复兴;王剑秋;杨海
期刊:
计算机与应用化学 ,2012年29(4):454-456 ISSN:1001-4160
作者机构:
[张志坚; 杨海] 衡阳师范学院生命科学系;[邝代治; 张复兴; 王剑秋] 衡阳师范学院化学与材料科学系
关键词:
有机锡配合物;合成;晶体结构;量子化学
摘要:
吡啶-2,6-二甲酸与(n-Bu)_2SnO反应合成标题化合物,并经元素分析、IR和X-射线衍射表征,该配合物晶体属四方晶系,空间群P42/n,晶胞参数:a=1.77103(6)nm,b=1.77103(6)nm,c=1.11717(7)nm,α=90°,β=90°,γ=90°,V=3.5041(3)nm~3,Z=4,Dc=1.577g/cm~3,μ(MoKα)=1.479mm~(-1),F(000)=1680andR_1=0.0329,wR_2=0.0852[对I>2σ(I)的衍射]和R_1=0.0428,wR_2=0.0937(对所有的衍射)。共收集12600个数据,其中独立衍射点3431个,可观察衍射[I>2σ(I)]点2723个用于结构精修。中心Sn原子形成七配位变形十面体,分子间通过氧原子的氢键作用形成三维网络结构。利用量子化学G98W软件,在Lanl2dz基组对化合物的稳定性、前沿分子轨道组成及能量进行研究。
语种:
中文
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