一维链状三苯基锡肉桂酸酯配合物的合成、结构及量子化学研究
作者:
Zhang Fu-Xing* ;Wang Jian-Qiu;Kuang Dai-Zhi;Feng Yong-Lan;Zhang Zhi-Jian;...
期刊:
无机化学学报 ,2011年27(8):1591-1595 ISSN:1001-4861
通讯作者:
Zhang Fu-Xing
作者机构:
[Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Xu Zhi-Feng; Zhang Ke; Wang Jian-Qiu] Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organametall Mat, Coll Hunan Prov, Hengyang 421008, Hunan, Peoples R China.;[Zhang Zhi-Jian] Hengyang Normal Univ, Dept Life Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Zhang Fu-Xing] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organametall Mat, Coll Hunan Prov, Hengyang 421008, Hunan, Peoples R China.
关键词:
三苯基锡肉桂酸酯;合成;晶体结构;从头计算
摘要:
三苯基氯化锡与肉桂酸按物质的量比1∶1在苯和乙醇混合溶剂中反应合成了一维链状三苯基锡肉桂酸酯。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=1.281 28(9)nm,b=1.145 90(8)nm,c=1.829 01(4)nm,β=120.784(4)°,V=2.307 0(3)nm~3,Z=4,D_c=1.431 g.cm~(-3),μ(Mo Kα)=11.27 cm~(-1),F(000)=1 000,R_1=0.025 2,wR_2=0.058 0。配合物通过肉桂酸羧基桥联,形成五配位的三角双锥构型的链状结构。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。
语种:
中文
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Hydrothermal Synthesis, crystal structure, fluorescence and electrochemical properties of allo-bisbridge binnclear copper(II) complex based on methoxybenzoic acid and l, 10-phenanthroline
作者:
Chen, Z.-M.;Zou, J.-L.;Yang, Y.-Q.;Kuang, D.-Z.* ;Wang, J.-Q.;...
期刊:
无机化学学报 ,2011年27(11):2167-2171 ISSN:1001-4861
通讯作者:
Kuang, D.-Z.
作者机构:
[Chen, Z.-M.; Kuang, D.-Z.; Yang, Y.-Q.; Chen, M.-S.; Zhang, F.-X.; Wang, J.-Q.; Zou, J.-L.] Department of Chemistry and Materials Science, Hengyang Normal University, Hengyang, Hunan 421008, China
通讯机构:
[Kuang, D.-Z.] D;Department of Chemistry and Materials Science, Hengyang Normal University, China
关键词:
Allo-bisbridge;Binnclear copper(II) complex;Crystal structure;Electrochemical property;Luminescence property
摘要:
The novel complex [Cu2(μ-OH)(Mba)(Phen)2]·(ClO4)2 has been hydrothermally synthesized by Hmba and Phen with copper(II), where Hmba=methoxybenzoic acid and Phen=1,10-phenanthroline. The crystal structure of the complex has been determined by X-ray diffraction. The crystal belong to monoclinic system, space group P21/n The cell parameters are: a=1.149 6(2)nm, b = 1,623 9(3) nm, c = 1.740 4(4) nm, β=106.52(3)°, V=3.115 1(1) nm3, Z=4, μ(Mo K(α)=16.14 cm-1, F (000)=1 728, R1=0.0296, wR2=0.075 7 (I>2σ(I)). The two centric copper(II) ions are four-coordinated in the distorted planar tetragon arrangement for the complex. A hydroxidion and a methoxybenzoic acid act as the bridge to link two Cu(II) ions. Each asymmetric unit is connetcted by weak interaction to form a helix chian. Three-dimensional network is formed through the π-π packing between aromatic rings. The luminescent and electrochemical property of the novel complex has been stuied. CCDC: 749064.
语种:
英文
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铜配合物[Cu(AFO)2]2(SO_4)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
期刊:
计算机与应用化学 ,2011年28(3):300-302 ISSN:1001-4160
作者机构:
[张志坚] 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:
铜配合物;晶体结构;量子化学
摘要:
硫酸铜与4,5-二氮芴-9-酮(AFO)反应合成四配位铜配合物[Cu(AFO)_2]2(SO_4),并经元素分析、IR和X-射线衍射表征分子结构,该化合物晶体学参数:单斜晶系,空间群P2(1)/c,晶体学数据:α=0.78885(14) nm,b=1.3358(2) nm,c =1.9292(3) nm,β= 96.179(3).,V= 1.7096(3) nm~3,Z=4, Dc =1.722 9/cm~3,,μ(MoKa)= 1.236 cm~(-1),F(000) =1060,R_1=0.0437,wR_2= 0.1225[对 1> 2t7(/)的衍射]和R_1=0.0634,wR_2= 0.1362(对所有的衍射).共收集10795个数据,其中独立衍射点3576个,可观察衍射[I>2(I)]点2553个用于结构精修.配合物的铜原子关于配基原子形成变形平面四方型.利用量子化学G98W软件,在Lan12dz基组对配合物的稳定性、前沿分子轨道组成及能量进行了研究
语种:
中文
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微波固相合成三(邻氯苄基)锡肉桂酸酯及其结构与量子化学研究
作者:
Zhang Fu-Xing* ;Wang Jian-Qiu;Kuang Dai-Zhi;Feng Yong-Lan;Zhang Zhi-Jian;...
期刊:
无机化学学报 ,2011年27(6):1111-1115 ISSN:1001-4861
通讯作者:
Zhang Fu-Xing
作者机构:
[Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Xu Zhi-Feng; Zhang Ke; Wang Jian-Qiu] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organomet Mat, Dept Chem & Mat Sci, Hengyang 421008, Human, Peoples R China.;[Zhang Zhi-Jian] Hengyang Normal Univ, Dept Life Sci, Hengyang 421008, Human, Peoples R China.
通讯机构:
[Zhang Fu-Xing] H;Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organomet Mat, Dept Chem & Mat Sci, Hengyang 421008, Human, Peoples R China.
关键词:
微波固相合成;三(邻氯苄基)锡肉桂酸酯;晶体结构;从头计算
摘要:
三(邻氯苄基)氯化锡与肉桂酸按物质的量比1:1,通过微波固相反应合成了三(邻氯苄基)锡肉桂酸酯。经X一射线衍射方法测定了其晶体结构,化合物属三斜晶系,空间群为P1,晶体学参数a=0.974 91(3)nm,b=1.09657(3)nm,c=1.485 91(4)./1//1,d= 104.1150(10)°,/3=90.241 0(10)°,r=111.7150(10)°。,V=I.423 35(7)nm~3,Z=2,D_c=1.499 g·cm~(-3),μ(Mo K00=12.04 crn一,F(000)=644,R1_ 0.0249,wR_2=0.0836。中心锡与亚甲基碳和羧基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。
语种:
中文
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基于大茴香酸与邻菲咯啉的异双桥联双核铜配合物的水热合成、结构、荧光与电化学性质
作者:
Chen Zhi-Min;Zou Jian-Ling;Yang Yin-Qun;Kuang Dai-Zhi* ;Wang Jian-Qiu;...
期刊:
无机化学学报 ,2011年27(11):2167-2171 ISSN:1001-4861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Chen Man-Sheng; Zou Jian-Ling; Kuang Dai-Zhi; Zhang Fu-Xing; Wang Jian-Qiu; Chen Zhi-Min; Yang Yin-Qun] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
双核铜(Ⅱ)配合物;异双桥;晶体结构;荧光性质;电化学性质
摘要:
通过水热法,由Hmba(methoxybenzoic acid)、Phen(1,10-phenanthroline)与Cu~(2+)离子反应,合成标题配合物[Cu_2(μ-OH)(Mba)(Phen)_2].(ClO_4)_2。单晶X射线衍射分析表明,晶体属单斜晶系,空间群为P2_1/n,晶胞参数:a=1.149 6(2)nm,b=1.623 9(3)nm,c=1.740 4(4)nm,β=106.52(3)°,V=3.115(1)nm~3,Z=4,μ(Mo Kα)=16.14 cm~(-1),F(000)=1 728,R_1=0.029 6,wR_2=0.075 7(I>2σ(I))。在配合物中,2个中心铜离子均与配位原子构成四配位的变形平面四方形构型,其中1个羟基和1个Hmba的羧基以桥联的方式与2个Cu(Ⅱ)离子配位。最小不对称单元间通过弱相互作用连接成一维螺旋链状结构,链间通过芳环间的π-π堆积,构筑成三维网状结构。此外,研究了配合物的荧光和电化学性质。
语种:
中文
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Study on Synthesis, Crystal Structure and Quantum Chemistry of the Tribenzyltin Iodized
作者:
Wang Jian-Qiu;Zhang Fu-Xing;Kuang Dai-Zhi* ;Feng Yong-Lan;Zhang Zhi-Jian;...
期刊:
无机化学学报 ,2011年27(3):487-490 ISSN:1001-4861
通讯作者:
Kuang Dai-Zhi
作者机构:
[Chen Yan-Wei; Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Xu Zhi-Feng; Wang Jian-Qiu] Hengyang Normal Univ, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Zhang Zhi-Jian] Hengyang Normal Univ, Dept Life Sci, Hengyang 421008, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词:
三苄基碘化锡;合成;晶体结构;量子化学
摘要:
三苄基氯化锡与碘乙酸在苯溶剂中反应,合成了三苄基碘化锡。经X射线衍射方法测定了化合物的晶体结构。该晶体属三方晶系,空间群R3,晶体学参数a=1.6891(2)nm,b=1.6891(2)nm,c=0.60371(12)nm,γ=120°,Z=3,V=1.4917(4)nm3,Dc=1.733g.cm-3,μ(Mo Kα)=2.835 mm-1,F(000)=750,R1=0.072 2,wR2=0.171 2。中心锡与亚甲基碳和碘原子构成畸型四面体。对其结构进行量子化学从头计算,探讨了化合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。
语种:
中文
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碳纳米管上分子印迹微反应器的构建及催化Diels-Alder反应研究
作者:
Xu Zhi-Feng* ;Wen Ge;Kuang Dai-Zhi;Zhang Fu-Xing;Wang Jian-Qiu;...
期刊:
高等学校化学学报 ,2011年32(5):1157-1162 ISSN:0251-0790
通讯作者:
Xu Zhi-Feng
作者机构:
[Kuang Dai-Zhi; Xu Zhi-Feng; Zhang Fu-Xing; Li Jun-Hua; Wang Jian-Qiu] Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Peoples R China.;[Wen Ge] Hengyang Chinese Med Corp Ltd, Unisplendour Guban Grp, Hengyang 421003, Peoples R China.
通讯机构:
[Xu Zhi-Feng] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Peoples R China.
关键词:
分子印迹微反应器;多壁碳纳米管;Diels-Alder环加成;催化
摘要:
通过多壁碳纳米管(MWCNTs)上羟基的酯化反应在碳纳米管表面接枝双键,以蒽和马来酸的加成反应产物为模板分子,甲基丙烯酸(MAA)为功能单体,乙二醇二甲基丙烯酸酯(EDMA)为交联剂,通过微波辐射聚合在碳纳米管表面接枝一层厚度约为30 nm的分子印迹催化剂.该催化剂对蒽和马来酸的加成反应具有明显的催化作用,反应开始后的180 min内,催化反应速率是不加催化剂反应速率的1.77倍.该催化反应的催化动力学遵守Michaelis-Menten方程,最大速率(v_(max))为0.713μmol/(L·s),米氏常数(K_M)为 17735.24μmol/L.
语种:
中文
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微波固相合成二正丁基锡2-萘甲酸酯配合物{[n-Bu_2Sn(O_2CC_(10)H_9)]_2O}_2及其结构与性质研究
作者:
张复兴;王剑秋;邝代治;冯泳兰;张志坚;...
期刊:
计算机与应用化学 ,2011年28(5):587-591 ISSN:1001-4160
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,湖南,衡阳,421008;[张志坚] 功能金属有机材料湖南省普通高等学校;[冯泳兰; 邝代治; 王剑秋; 李俊华; 张复兴; 张可] 衡阳师范学院
关键词:
微波固相合成;二正丁基锡2-萘甲酸酯;晶体结构;循环伏安;从头计算
摘要:
二正丁基氧化锡和2-萘甲酸按物质的量比1:1,通过微波固相合成法合成了二正丁基锡2-萘甲酸酯配合物{[n-Bu_2Sn(O_2CC_(10)H_9)]_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π,晶体学参数a=1.19564(7)nm,b=1.26634(7)nm,c=1.42679(9)nm,α=79.7120(10),β=69.0330(10)°,γ=72.1050(10)°,V=1.9146(2)nm~3,Z=1,Dc=1.430g/cm~3,μ(MoKa)=13.42cm~(-1),F(000)=836,R_1=0.0426,wR_2=0.1189。配合物是以Sn2O2构成的平面四元环为中心环的二聚体结构,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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Voltammetric determination of bisphenol A in food package by a glassy carbon electrode modified with carboxylated multi-walled carbon nanotubes
作者:
Li, Junhua* ;Kuang, Daizhi;Feng, Yonglan;Zhang, Fuxing;Liu, Mengqin
期刊:
Microchimica Acta ,2011年172(3-4):379-386 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 Organomet 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 Organomet Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
Carbon nanotubes;Linear sweep voltammetry;Bisphenol A;Determination
摘要:
A highly sensitive and mercury-free method for determination of bisphenol A (BPA) was established using a glassy carbon electrode that was modified with carboxylated multi-walled carbon nanotubes. A sensitive oxidation peak is found at 550 mV in linear sweep voltammograms at pH 7. Based on this finding, trace levels of bisphenol A can be determined over a concentration range that is linear from 10 nM to 104 nM, the correlation coefficient being 0.9983, and the detection limit (S/N = 3) being 5.0 nM. The method was successfully applied to the determination of BPA in food package. © 2010 Springer-Verlag.
语种:
英文
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三环己基锡吡咯啶二硫代氨基甲酸酯和三环己基锡邻苯二甲酰亚胺配合物的合成、结构和量子化学研究
作者:
Kuang Dai-Zhi* ;Jiang Wu-Jiu;Feng Yong-Lan;Zhang Fu-Xing;Wang Jian-Qiu;...
期刊:
无机化学学报 ,2011年27(10):1981-1986 ISSN:1001-4861
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] Hengyang Normal Univ, Coll Hunan Prov, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;[Jiang Wu-Jiu] Xiangtan Univ, Coll Chem, Minist Educ, Key Lab Environm Friendly Chem & Applicat, Xiangtan 411105, Hunan, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H;Hengyang Normal Univ, Coll Hunan Prov, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.
关键词:
三环己基锡配合物;合成;晶体结构;量子化学
摘要:
三环己基氢氧化锡分别与吡咯啶二硫代氨基甲酸钠和邻苯二甲酰亚胺反应,合成了三环己基锡吡咯啶二硫代氨基甲酸酯(1)和三环己基锡邻苯二甲酰亚胺配合物(2)。化合物经IR、1H NMR、元素分析表征,用X射线衍射法测定了晶体结构,化合物 1属正交晶系,空间群P2_12_12_1,晶体学参数:a=1.228 06(3)nm,b=1.238 20(2)nm,c=1.662 54(3)nm,Z=4,V=2.528 03(9)nm~3,D_c= 1.351 g·cm~(-3),μ(Mo Kα)=1.184 mm~(-1),F(000)=1 072,R1=0.048 7,wR2=0.121 0;化合物2属正交晶系,空间群P212121,晶体学参数:a= 1.244 70(19)nm,b=1.269 45(19)nm,c=1.587 7(2)nm,Z=4,V=2.508 7(6)nm~3,D_c=1.362 g·cm~(-3),μ(Mo Kα)=1.039 mm~(-1),F(000)= 1 064,R_1=0.049 9,wR_2=0.128 4,中心锡原子均为畸变四面体构型。对化合物进行了量子化学从头计算,探讨了化合物的稳定性、分子轨道能量以及前沿分子轨道的组成特征。
语种:
中文
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亚洲韧皮杆菌兼性厌氧型伴生细菌鉴定及优势菌群分析
作者:
邝代治;冯泳兰;张复兴;王剑秋;许志锋;...
期刊:
微生物学通报 ,2011年25(9):1362-1370 ISSN:0253-2654
作者机构:
重庆大学生物工程学院基因工程研究中心;[王玉玺] 农业部全国农业技术推广服务中心;[陈世伟] 广西利添生物科技发展(合浦)有限公司;[李颜方; 殷幼平; 李佳; 王中康] 重庆大学
关键词:
黄龙病;内生细菌;定向分离培养;16SrRNA多样性分析
摘要:
以定向分离培养和基于16S rDNA的PCR-DGGE (Denaturing gradient gel electrophoresis,DGGE)方法,分析感黄龙病柑橘与健康柑橘植株不同部位的内生细菌多样性,分离柑橘组织共获得19株可培养的兼性厌氧型内生细菌,经形态、生理生化结合16S rDNA分子方法鉴定其隶属于12个属,其中短小杆菌属Curtobacterium sp.(IF:29.07%)、芽孢杆菌属Bacillus sp.(IF:23.12%)和微杆菌属Microbacterium sp.(IF:21.09%)为罹病植株的优势菌群,芽孢杆菌属Bacillus sp.(IF:21.03%)、动性球菌属Planococcus sp.(IF:20.69%)和假单胞菌属Pseudomonas sp.(IF:17.44%)为无症健株的优势茵群.对DGGE方法得到的50务16S rDNA目标条带进行序列比对,共鉴定出9个属的细菌,结果表明沙雷氏菌属Serrations sp.(IF:28%)是优势茵属,泛菌属Pantoea sp.(IF:14%)是次优势菌属;病果桔络中黄龙病菌含量最高(>1%),而罹病植株其他部位的黄龙病菌丰度较低.PCR-DGGE图谱也显示感病和健康柑橘组织的内生细菌存在差异.
语种:
中文
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Synthesis,Crystal Structure and Luminescent Property of the One-dimensional Chain Chlorodibenzyltin 2-Quininate
作者:
Jiang Wu-Jiu;Yang Nian-Fa;Kuang Dai-Zhi* ;Feng Yong-Lan;Zhang Fu-Xing;...
期刊:
Chinese Journal of Structural Chemistry ,2011年30(9):1327-1331 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; Liu Meng-Qin; Yu Jiang-Xi] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China.;[Yang Nian-Fa; Jiang Wu-Jiu] Xiangtan Univ, Minist Educ, Key Lab Environmentally Friendly Chem & Applicat, Xiangtan 411105, Hunan, Peoples R China.;[Jiang Wu-Jiu; Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Wang Jian-Qiu; Liu Meng-Qin; Yu Jiang-Xi] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Yang Nian-Fa; Jiang Wu-Jiu] Xiangtan Univ, Coll Chem, Xiangtan 411105, 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:
organotin carboxylates;synthesis;crystal structure;luminescent property
摘要:
A one-dimensional chain chlorodibenzyltin 2-quininate has been synthesized and characterized by IR, NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal belongs to the monoclinic system, space group I4(—) with a = 19.1171(10), b = 19.1171(10), c = 12.5158(6) , Z = 8, V = 4574.1(4) 3, Dc = 1.477 g·cm-3, μ(MoKα) = 1.252 mm-1, F(000) = 2032, R = 0.0259 and wR = 0.0723. In the complex, the tin atom is six-coordinated to adopt a distorted octahedral configuration with bridging carboxyl of quinoline-2-carboxylic acid. The result of fluorescence spectrum analysis shows that the title complex at room temperature exhibits an intense photoluminescence with maximum emission at 364.2 nm (λex = 303.0 nm).
语种:
英文
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三环己基锡吡啶-4-甲酸酯聚合物的合成、结构和量子化学研究
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 ,2011年27(9):1793-1797 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; Liu Meng-Qin; 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; Yu Jiang-Xi] 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:
有机锡化合物;配位聚合物;合成;晶体结构;量子化学
摘要:
双齿配体吡啶-4-甲酸与三环己基氢氧化锡反应,合成了三环己基锡吡啶-4-甲酸酯聚合物[Cy_3Sn(O_2CC_5H_4N)]n(Cy为环己基)。经IR、1H NMR、元素分析和X射线衍射表征结构,晶体结构属单斜晶系,空间群P2_(1/c),晶体学参数:a=1.222 4(4)nm,b= 0.980 9(5)nm,c=2.089 9(9)nm,β=107.238(3)°,Z=4,V=2.393 6(4)nm3,Dc=1.360 g·cm~(-3),μ(Mo Kα)=1.085 mm~(-1),F(000)=1 016,R1= 0.028 2,wR)2=0.068 4。中心锡原子为五配位三角双锥构型,通过吡啶-4-甲酸的1个氧和吡啶氮原子配位成链。两条相邻的链之间经氢键(C-H…O)作用组成“双链”结构,“双链”之间通过环己基H与另链的吡啶环发生σ→π作用形成二维结构。利用量子化学G98W软件,在lan12dz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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胆酸印迹聚合物的制备及在含水介质中的结合性能
作者:
Xu Zhi-Feng* ;Kuang Dai-Zhi;Wen Ge;Zhang Fu-Xing;Wang Jian-Qiu;...
期刊:
高等学校化学学报 ,2011年32(8):1727-1732 ISSN:0251-0790
通讯作者:
Xu Zhi-Feng
作者机构:
[Kuang Dai-Zhi; Xu Zhi-Feng; Zhang Fu-Xing; Li Jun-Hua; Wang Jian-Qiu] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Wen Ge] Hengyang Chinese Med Corp Ltd, Unisplendour Guhan Grp, Hengyang 421003, Peoples R China.
通讯机构:
[Xu Zhi-Feng] H;Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
关键词:
分子印迹;胆酸;β-环糊精;特异性结合;疏水作用
摘要:
以双甲基丙烯酰-β-环糊精(BMA-β-CD)和2-(二乙基胺基)乙基甲基丙烯酸酯(DEAEM)为功能单体制备了胆酸印迹聚合物 MIP_1,并采用平衡结合实验研究了 MIP_1在含水介质中对模板分子的识别能力.结果表明,MIP_1比单独以 BMA-β-CD 或 DEAEM 为功能单体制备的印迹聚合物 MIP_2和 MIP_3显示出对模板分子更好的选择性结合能力.MIP_1的特异性吸附量(Δc_P)为38.81 μmol/g,印迹因子 IF 为2.46.研究结果表明,在含水介质中,利用模板分子与功能单体之间的疏水作用和离子作用是提高印迹聚合物分子识别能力的关键.另外,在识别过程中,疏水作用在驱动分子进入印迹孔穴时起重要作用.
语种:
中文
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Preparation of a novel Ni-In alloy electrode and its electrocatalytic activity
作者:
Kuang, Dai-Zhi* ;Li, Jun-Hua;Feng, Yong-Lan;Zhang, Fu-Xing;Wang, Jian-Qiu
期刊:
Asian Journal of Chemistry ,2011年23(4):1564-1568 ISSN:0970-7077
通讯作者:
Kuang, Dai-Zhi
作者机构:
[Zhang, Fu-Xing; Kuang, Dai-Zhi; Feng, Yong-Lan; Wang, Jian-Qiu; Li, Jun-Hua] Hengyang Normal Univ, Coll Key Lab Funct Organometall Mat Hunan Prov, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构:
[Kuang, Dai-Zhi] H;Hengyang Normal Univ, Coll Key Lab Funct Organometall Mat Hunan Prov, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
关键词:
Cyclic voltammetry;Electrocatalytic;Glucose;Ni-In alloy electrode
摘要:
Nickel electrode, indium electrode and two kinds of Ni-In alloy electrodes (A-type and B-type) were prepared by electrodeposition method and their voltammetric behaviours were investigated in a 0.2 mol/L NaOH solution. The electrocatalytic activities of glucose on these electrode surfaces were also examined. The results of electrochemical experiments indicated that the Ni electrode and Ni-In alloy electrodes had catalysis effect on glucose oxidation in an alkaline solution. The A-type Ni-In alloy electrode, prepared in an electrolyte at a 5:1 Ni2+/In3+ mole ratio, had the best electrocatalytic activity. There was a liner relationship between glucose oxidation peak current and its concentration in the range of 1-10 mmol/L. The A-type Ni-In alloy electrode in alkaline solution was steady and it preferably resisted surface poisoning. This alloy electrode can be used as a high catalytic activity electrode of glucose sensor and glucose fuel cell.
语种:
英文
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Crystal structure of diaqua(4,4'-bipyridine-N,N')-bis(2-benzoylbenzoato)- cadmium(II) dihydrate, Cd(C14H9O3)2(C10H8N2)(H2O)2 · 2H2O
作者:
Chen, Zhi-Min* ;Yang, Ying-Qun;Zou, Jian-Ling;Kuang, Dai-Zhi;Zhang, Fu-Xing;...
期刊:
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES ,2011年226(3):337-338 ISSN:1433-7266
通讯作者:
Chen, Zhi-Min
作者机构:
[Chen, Zhi-Min; Zhang, Fu-Xing; Kuang, Dai-Zhi; Yang, Ying-Qun; Wang, Jian-Qiu; Zou, Jian-Ling; Chen, Man-Sheng] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构:
[Chen, Zhi-Min] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要:
Article Crystal structure of diaqua(4,4'-bipyridine-N,N')-bis(2-benzoylbenzoato)- cadmium(II) dihydrate, Cd(C14H9O3)2(C10H8N2)(H2O)2 · 2H2O was published on September 1, 2011 in the journal Zeitschrift für Kristallographie - New Crystal Structures (volume 226, issue 3).
语种:
英文
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甲氧基在苯甲醚亲电取代反应的定位作用
作者:
邝代治;曹诚;冯泳兰;张复兴;王剑秋;...
期刊:
衡阳师范学院学报 ,2011年32(03):60-63 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;衡阳师范学院化学与材料科学系,湖南衡阳421008;衡阳师范学院生命科学系,湖南衡阳421008
关键词:
苯甲醚电子结构;甲氧基的定位效应
摘要:
从理论上研究了苯甲醚的电子结构,结果表明,苯甲醚的甲氧基在空间的位置影响苯甲醚的原子电荷分布和能量,从而影响苯甲醚的亲电取代反应。苯甲醚的O—Ph键旋转,形成不同构象之间的最大与最小体系能量值之差ΔE仅ΔE=0.006 31 a.u。当C1-O8—C7与苯环垂直时,体系能量[E(90)=E(270)=-344.429 48 a.u]最低,为稳定的优势构象。苯甲醚中甲氧基虽然表现为吸电基,但它的作用使邻、对位碳原子的负电荷比苯环碳原子多,成为亲电取代反应中心,在邻、对位碳原子上较容易被亲电试剂进攻,甲氧基为邻、对位定位基。亲电试剂Me+与苯甲醚反应形成的各种碳正离子中间体的稳定性差异不大,电子效应是影响亲电取代反应的重要因素。
语种:
中文
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三苯基锡2-噻吩甲酸酯的微波固相合成、结构及量子化学研究
作者:
张复兴;邝代治;王剑秋;冯泳兰;许志锋;...
期刊:
衡阳师范学院学报 ,2011年32(06):64-69 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;[冯泳兰; 邝代治; 王剑秋; 张复兴; 许志锋; 张可] 衡阳师范学院
关键词:
微波固相合成;三苯基锡2-噻吩甲酸酯;从头计算
摘要:
三苯基氯化锡与2-噻吩甲酸钠按物质的量比1∶1,通过微波固相合成法合成了三苯基锡2-噻吩甲酸酯。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P21/c,晶体学参数a=1.340 22(6)nm,b=1.800 2(6)nm,c=1.452 87(6)nm,β=118.983(3)°,V=2.009 94(16)nm3,Z=4,Dc=1.577g/cm3,μ(MoKa)=13.90cm-1,F(000)=952,R1=0.026 4,wR2=0.068 2。中心锡与亚甲基碳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。
语种:
中文
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Synthesis, Crystal Structure and Quantum Chemistry of Dibutyltin 3,4-Dimethoxybenzotate Compound
作者:
Zhang Fu-Xing* ;Wang Jian-Qiu;Kuang Dai-Zhi;Feng Yong-Lan;Xu Zhi-Feng;...
期刊:
Chinese Journal of Structural Chemistry ,2010年29(10):1529-1535 ISSN:0254-5861
通讯作者:
Zhang Fu-Xing
作者机构:
[Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Xu Zhi-Feng; Zhang Ke; Wang Jian-Qiu] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Feng Yong-Lan; Kuang Dai-Zhi; Zhang Fu-Xing; Xu Zhi-Feng; Wang Jian-Qiu; Zhang Zhi-Jian] 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:
3,4-dimethoxybenzoic acid;Ab initio method;Crystal structure;Dibutyltin;Synthesis
摘要:
The dibutyltin 3,4-dimethoxybenzotate compound {[(3,4-(CH3O)2C6H3COO) Sn(Bu-n)2]2O}2 has been synthesized by the reaction of dibutyltin oxide with 3,4-dimethoxybenzoic acid. Its structure was determined by X-ray single-crystal diffraction. The crystal belongs to the triclinic system,space group P1 with a = 1.2003(2),b = 1.2821(3),c = 1.3666(3) nm,α = 80.50(3),β = 65.56(3),γ = 73.36(3)°,Z = 2,V = 1.8318(6) nm3,Dc = 1.530 Mg·m-3,μ(MoKa) = 1.413 mm-1,F(000) = 860,R = 0.0554 and wR = 0.1092. In the complex,each tin atom adopts a distorted tigonal bipyramidal structure,and the dimer structure is shaped by one Sn2O2 planar four-membered ring. The stabilities of the title complex,along with its orbital energies and composition characteristics of some frontier molecular orbitals have been investigated by means of quantum chemistry calculation methods.
语种:
英文
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二茂铁甲酸分子印迹聚合物的制备、识别机理和结合特性
作者:
许志锋;吴双;吴小辉;邝代治;张复兴;...
期刊:
应用化学 ,2010年27(4):384-389 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;[吴双; 邝代治; 王剑秋; 吴小辉; 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:
分子印迹;二茂铁甲酸;甲基丙烯酸;分子识别
摘要:
以二茂铁甲酸(FCA)为模板,选用不同的功能单体制备了一系列分子印迹聚合物,用平衡结合实验考察了它们对模板分子的结合性能.结果表明,以甲基丙烯酸为功能单体制得的印迹聚合物P_1对模板分子有很好的选择性,特异性吸附量ΔC_P为23.18 μmol/g,印迹因子IF为2.33,竞争性结合实验结果表明,P_1可以将模板分子从结构类似物中分离出来.Scatchard方程研究表明,在研究的浓度范围内聚合物中形成了一类等价的结合位点,其对模板分子的平衡离解常数K=1.94 mmol/L,最大表观结合量C_(pmax)=92.33 μmol/g.研究还表明,FCA的羧基是在聚合物的孔穴中产生识别位点的功能基,模板分子上的羧基与MAA的羧基形成双重氢键作用是分子识别的主要作用力.
语种:
中文
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