Me4Bzo2[14]六烯(2-)N4金属配合物的结构和反应性研究——Ⅱ. ML和MLXx型配合物的电子吸收光谱研究

本文研究了ML及MLX_x型配合物电子吸收光谱的电荷转移谱带,求得了所用N₄大环配体的光学电负性值,证实金属的形式D_q值与成键有关.对阐明有关化合物的结构提供了新的证据.     

均相催化活化杂原子-碳(E-C)键及其与炔烃的加成反应

系统总结了Ni、Pd、Pt、Rh、Cu等过渡金属配合物催化活化Si-C、Sn-C、S-C、Se-C、Cl-C、Br-C等杂原子-碳键及其与炔烃的加成反应.这些新型的炔烃加成反应提供了合成含R3Si、R3Sn、RS、RSe、Cl和Br等活性官能团烯烃化合物的原子经济型一步合成方法.同时加成反应体系具有很高的立体选择性和区域选择性.     

Crystal Structure of cis-Dichlorobis-(1,10-phenanthroline) Manganese(Ⅱ)

1INTRODUCTIONRecently,considerableattentionhasbeenpaidtotheinvestigationofcoordinationchemistryofmanganeseindifferentoxidationstatesnotonlybecauseofthediscoveryoftightlyboundmanganeseatomsinvariousbiomolecules[libutalsobecauseoftheirinterestingstructural,magneticandspectroscopicfeatures.Wehavepreparedseveralcomplexesofmanganese(n)withdifferentligands.Thestructuresandfeaturesofthesecompoundsarestudiedsystematically.Inthispaperwedescribethestructureofthecomplexwiththeligandsofphenanthroline…     

Mo(W)-Cu(Ag)-S簇合物的非线性光学性能研究

本文介绍了非线性光学性测试中的Ｚ－扫描方法。总结了Ｍｏ（Ｗ）－Ｃｕ（Ａｇ）－Ｓ簇合物的光限制效应、非线性吸收和非线性折射等光学性质。讨论了簇合物结构与光学性能的关系。     

循环伏安法研究硝基药物的β-环糊精包含络合物

本文用悬汞电极循环伏安法,研究了甲硝唑、氯霉素、对硝基苯酚和对硝基苯甲酸等药物的伏安性质,用“电流法”测定了药物与β-CD生成包络物的K_f值,并讨论其作用及稳定性。     

二氯四(苯丙酮-1, 2, 4-三唑)合钴六水配合物晶体结构

0IntroductionRecently,thecompoundscontaining1H-1,2,4-tr-iazolegrouphaveattractedmuchinterestbecauseoftheirexhibitingsomefungicidalactivityandplantgrowthregulatingactivity犤1犦,andshowingantibacterialactivityagainstPucciniareconditeandrootsgrowthregulationforcucumber犤2犦.Also,suchcompoundsareincreasinglybeingstudiedbecauseofthecoordinationchemistryofazolesactingasligandsintransitionmetalcompounds.Asamatteroffact,thetriazolederivativeshavebeenextensivelyusedasterminalandbridgingligands,andthey…     

四个酰基硫脲衍生物及其配合物的合成与表征

本文报道了四个Ｎ－酰基硫脲衍生物及其Ｃｕ＾２＋，Ｎｉ＾２＋，Ｃｄ＾２＋，Ｓｎ＾４＋配合物的合成。用质谱、红外光谱、紫外光谱对它们进行了结构、性质表征。配体与金属离子配位主要是通过硫原子进行，配合物都是非离子型的。     

牛血清白蛋白与两种金属配合物的作用研究

The interaction of Methylthymol Blue(MTB)-Zinc(Ⅱ) compound and Alizarin Red S(ARS)-Aluminum(Ⅲ) compound with Bovine serum albumin (BSA) was investigated by UV-Vis spectrophotometric method in acidic buffer solution. MTB-Zn(Ⅱ)-BSA was a blue color compound, which possesses maximum absorption at 613 nm with 172 nm, 174 nm and 18 nm of red shift compared to the MTB, MTB-BSA and MTB-Zn(Ⅱ) complexes respectively. Dual wavelength substantial amount ratio method, balance dialysis substantial amount ratio method and unity wavelength substantial amount ratio method were compared. The following results were obtained: the apparent molar absorptivity of MTB-Zn(Ⅱ) with BSA was ε=2.20×10⁴ L·mol^-1·cm^-1. Conditional proportion were defined, n_MTB∶n_Zn(Ⅱ)∶n_BSA=2∶2∶1; condition combination constant, K=2.07×1010. Combination proportion were defined, n_ARS∶n_Al(Ⅲ)∶n_BSA=6∶4∶1. Condition equilibrium constant of reaction of ARS-Al(Ⅲ) with BSA was K=8.80×10⁸. The apparent molar absorptivity of ε=2.65×10⁴ L·mol^-1·cm^-1. It is suggested that combination between BSA and MTB-Zn(Ⅲ) is due to coordination force. That combination between BSA and ARS-Al(Ⅲ) is due to the coordination bond and electrostatic force.     

锂在共轭双键高分子中的电化学嵌入反应III. 锂嵌入聚噻吩的量子化学计算†

采用Gaussian软件和HF方法, 通过从头计算(ab initio)法选取4-31G基组计算锂离子嵌入聚噻吩过程中结构与结合能的变化关系. 发现噻吩聚合时主要生成三或四聚合物. 聚合物在Li原子(或Li^＋离子)嵌入后, 聚噻吩间距离明显变小, 同时发生电荷转移, 形成稳定嵌合物; 并使噻吩环的C-α—C-β键级变小. 同时, 研究了锂离子(或原子)嵌入后体系的HOMO, LUMO能级. 聚噻吩在嵌入锂离子时LUMO轨道能级变为负值, 成为电池反应得电子的正极. 而金属Li₂ 释放Li^＋后的Li^－的HOMO能级为＋0.7427 eV, 则成为给电子的负极. 由此, 可以完成由锂/聚噻吩在高氯酸锂电解质中组成的放电过程, 并提出嵌合键级概念用来表征锂在聚噻吩间的结合程度.     

CRYSTAL STRUCTURE OF NEODYMIUM（Ⅲ）COMPLEX WITH1，2，4—BENZENETRICARBOXYLIC ACID

<正> [NdC6H3(COO)3(H2O)3]·H2O, Mr=423. 45, orthorhombic,space groupP212121,a=6. 120(3) ,b=9. 719(2) ,c=20. 133(8) A ,V=1197. 5A3.Z = 4,F (000) = 820,DC=2. 35g/cm3,μ(Moka) = 44. 1cm-1.The final R = 0. 0278 and Rw= 0. 0270 for 1760(I>3σ(I)) observed unique reflections. The neodymium ion is nine-coordinated by six oxygen atoms of carboxylato groups from four 1, 2, 4-benzenetricar-boxylates and three aqua molecules,forming a distorted monocapped square antiprism. The Nd -O distances fall in the range of 2. 41 - 2. 70A with an average of 2. 51A