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排序方式: 共有5479条查询结果,搜索用时 46 毫秒
41.
XU Xing-Youa MA Wei-Xinga GAO Jiana LIU Qing-Liangb a 《结构化学》2002,21(5):473-476
1 INTRODUCTION Macrocyclic ligands and their metal complexes have received much attention due to their applications in ion transport, ion separation and as models in biomimic researches[1~7]. The synthetic methods of macrocyclic ligands and their metal complexes are mainly divided into three kinds[8]. The first one is synthesizing free ligand, then forming the metal complexes; the second is template synthesis; and the third is synthesizing the end-off or side-off precursor ligand, then c… 相似文献
42.
0IntroductionThefirstmolecule鄄basedmagnetswerereportedin1986[1].Duringthelasttwodecades,moreandmoreattentionhasbeenpaidtothesynthesisofmolecule鄄basedmagnets,especiallytoPrussianBlueanalogu鄄es[2].TheoldPrussianBlueanalogueshavebeenbroughtuptodateduetoth… 相似文献
43.
A novel chiral Salen ligand with a glucose moiety was synthesized from the condensation of 1,2:5,6-di-O-isopropylidene-3-O-methylene-[5-(3-tert-butyl-2-hydroxy benzaldehyde)]-α-D-glucofuranose with (1R,2R)-1,2-diaminocyclohexane. Several chiral complexes of Mn3+, Fe3+, Co2+ and Cu2+ were prepared from this ligand. Both the ligand and the complexes were characterized by elemental analysis, NMR, IR, MS, and UV-Vis. 相似文献
44.
The title compound (13,27-dimethyl-3,6,9,17,20,23-hexaazatricyclo-[23.3.1.111,15]-triaconta- 1 (29),2,9,11,13,15(30), 16,23,25,27-decaene-29,30-diol-N3,N6,N9,O29,O30)-bis(nitrato-O,O')-holmium(Ⅲ) nitrate hydrate has been prepared and characterized by elemental analysis, infrared spectra, and electrospray mass spectra. Its crystal and molecular structures were determined by X-ray diffraction methods. The crystal crystallizes in the monoclinic system, space group C2/c with a = 23.737(12), b = 14.237(7), c = 19.801(10) (A), β = 91.36(1)°, Mr = 831.57, V = 6690(6) (A)3, Z = 8,Dc = 1.651 g/cma, F(000) = 3344, R = 0.0482 and wR = 0.0923. The holmium ion is located in one of the compartments of the macrocyclic ligand and presents a distorted tricapped trigonal prismatic coordination geometry. The macrocycle is coordinated with two oxygen and three nitrogen atoms.Two nitrates are chelated in the opposite positions of the macrocycle, and the third one is ionic. 相似文献
45.
1,3,5-取代吡唑-4-亚甲基环丙烷羧酸酯的合成及生物活性黄润秋,宋健,冯磊(南开大学元素有机化学研究所,元素有机化学国家重点实验室,天津,300071)关键词吡唑,环丙烷羧酸酯,杀虫剂,杀病毒剂吡唑类杂环化合物有广泛的生物活性,并有若干高效的杀虫... 相似文献
46.
若干中性配体对Mo—Fe—S簇合物自兜的影响 总被引:3,自引:1,他引:3
通过电子吸收光谱的变化研究了一些含N和含P中性配体对MoS_4~(2-)-nFeCl_2-DMF体系形成立方烷型Mo-Fe-S簇合物的可能影响。 相似文献
47.
A method is proposed for the estimation of absolute binding free energy of interaction between proteins and ligands. Conformational sampling of the protein-ligand complex is performed by molecular dynamics (MD) in vacuo and the solvent effect is calculated a posteriori by solving the Poisson or the Poisson-Boltzmann equation for selected frames of the trajectory. The binding free energy is written as a linear combination of the buried surface upon complexation, SASbur, the electrostatic interaction energy between the ligand and the protein, Eelec, and the difference of the solvation free energies of the complex and the isolated ligand and protein, deltaGsolv. The method uses the buried surface upon complexation to account for the non-polar contribution to the binding free energy because it is less sensitive to the details of the structure than the van der Waals interaction energy. The parameters of the method are developed for a training set of 16 HIV-1 protease-inhibitor complexes of known 3D structure. A correlation coefficient of 0.91 was obtained with an unsigned mean error of 0.8 kcal/mol. When applied to a set of 25 HIV-1 protease-inhibitor complexes of unknown 3D structures, the method provides a satisfactory correlation between the calculated binding free energy and the experimental pIC5o without reparametrization. 相似文献
48.
49.
手性钯络合物催化下2-硝基环酮的不对称烯丙基化反应 总被引:2,自引:0,他引:2
在用氮杂冠醚改良的手性二茂铁膦与钯的络合物催化下, 2-硝基环酮可进行不对称烯丙基化反应. 讨论了配位基的形状, 反应物的构造, 碱的类型以及反应时间对反应速率和立体选择性的影响. 通过增加反应的空间位阻改进了反应的立体选择性 . 相似文献
50.
通过由Fe3(CO)12、RSH和Et3N所形成的[(μ-CO)(μ-RS)Fe2(CO)6]Et3NH于室温下分别与对或间苯二甲酰氯的原位反应,首次合成6个结构新颖的苯二甲酰基桥联铁硫配合物[(μ-RS)·Fe2(CO)6]2(μ-p-OCC6H4CO-p-μ)(R=Et,n-Bu,t-Bu)以及[(μ-RS)Fe2(CO)6]2(μ-m-OCC6H4CO-m-μ)(R=n-Pr,n-Bu,t-Bu)。经元素分析、IR光谱及1HNMR表征了它们的结构,并讨论了产物的生成过程。此外,还提出了合成对苯二甲酰氯的一种新方法。 相似文献