Synthesis and Structural Characterization of [Mn（sapn）（H2O）2]Br

1 INTRODUCTION Many of the recent advances in the coordination chemistry of manganese have been driven by the involvement of the manganese in several biological redox-active systems[1,2], of which the most important is the oxygen-evolving complex (EOC) of photosystem II (PS II) in green plants [3]. Since the preparations and structural characterizations of the complexes containing N,O-donor ligands have been studied extensively as simple active-site models for the photosystem II[4,5]…     

聚苯乙烯/蒙脱土熔融插层复合的研究

用熔融法制备了聚苯乙烯／蒙脱土插层复合材料，用Ｘ 射线衍射、ＤＳＣ等手段研究了复合材料的结构与性能．聚苯乙烯熔体不能插层于钠基蒙脱土中，但能插层于经有机化合物处理过的蒙脱土中．     

胆甾-4α-甲基-8-烯-3β，7α-二醇二乙酸酯的结构与性质研究

Lophenol, cholest-4α-methyl-7-en-3β-ol (1), obtained from Dracaena cochinchinensis (Lour.) S. C. Chen, was structurally modified. It was acetylated to protect 3β-hydroxyl group, and then oxidised by selenium dioxide in acetic acid to give cholest-4a-methyl-8-en-3β, Ta-diol diacetate (3). This compound 3 is unstable in chloroform solution or when heated and easily converted to a diene compound, cholest-4a-methyl-7,14-dien-3β-ol acetate (4). The structures of 3 and 4 were elucidated by means of IR, ^1H NMR, ^13C NMR and MS, and the absolute configuration of 3 was established by X-ray crystallography. The property of 3 was also discussed in this paper. Both 3 and 4 are new compounds and were reported for the first time.     

稠杂环化合物的研究（XV）──6－取代－3－（1H－苯并三唑－1－亚甲基）－1，2，4－三唑并［3，4－b］－1，3，4－噻二唑的合成

研究了３－（１Ｈ－苯并三唑－１－亚甲基）－４－氨基－５－巯基－１，２，４－三唑与取代苯甲酸在三氯氧磷催化下的反应，制得１０种新的３－（１Ｈ－苯并三唑－１－亚甲基）－１，２，４．三唑并［３，４－ｂ］－１，３，４－噻二唑，通过元素分析、ＩＲ、￣１ＮＭＲ和ＭＳ确证了它们的结构并讨论了其波谱性质。     

稀土氨基酸固体络合物的合成及结构分析进展

本文综述了稀土氨基酸络合物的合成,以及应用红外、核磁、X-射线衍射、热分析等方法进行结构分析研究的进展情况。     

[SiMo_2~(Ⅴ)Mo_(10)~(Ⅵ)O_(40)]~(6-)及其钒取代物的量子化学研究

采用SCC－DV－Xα方法对α－Keggin结构硅钼二电子还原态杂多蓝阴离子［SiMo2（V）Mo10（VI）O40］6-和它的混合型钒取代物［SiV2（V）Mo10（VI）O40］6-进行了量子化学计算，获得了轨道能级、费米能级、各原子价电子布居、自由价态密度分析和分子轨道成分等信息．理论分析表明该杂多阴离子中所有原子Si、Mo、V、Oa、Ob、Oc和Od都参与反应，Oc和Od的成键能力较强，化学活性较大，有力地支持了实验结果．中心硅氧四面体结构发生畸变很小，但构成三金属簇的八面体结构都发生了较明显的畸变，其整体仍然保持α－Keggin结构．钒的取代增强了Mo2VO13三金属族中Od的活性．预测这两种杂多阴离子都有被继续还原和取代的趋势，[SiMo2(V)Mo10(VI)O40]6-的趋势更强．     

反-1,2-双[2-(5-取代苯基恶唑基)]环丙烷的合成与光性能的研究

合成了8个反 -1,2-双[2-(5-取代苯基恶唑基)]环丙烷和2个1,2-双[2-取代苯基恶唑基)]乙烷,其中9个为新化合物.讨论了化合物的结构与其电子光谱及荧光量子产率间的关系.发现恶唑环与三元环间存在一定程度的共轭,并解释了上述化合物荧光量子产率较低的现象.     

γ-[SiW10O36]8-夹心型稀土元素单取代多酸化合物的合成与表征

利用缺位填充法合成了12个γ-[SiW10O36]8-夹心型稀土元素单取代多酸化合物K13[Ln(SiW10O36)2]·nH2O(Ln=La3+,Ce3+,Pr3+,Nd3+,Sm3+,Eu3+,Gd3+,Tb3+,Dy3+,Ho3+,Er3+,Yb3+).通过元素分析确定其组成,由红外光谱、紫外-可见吸收光谱、循环伏安及室温磁化率测定结果确认稀土离子与γ-[SiW10O36]8-相配位;183WNMR及荧光光谱结果则表明,稀土离子处于2个γ-[SiW10O36]8-构成的八配位环境中,标题化合物具有夹心型D2d对称性结构.     

Hydrothermal Synthesis and Structure of a New 3D Lanthanide—Carboxylate Framework,[La（btec）1／2（H2btec）1／2（H2O）]n（H4btec=1,2,4,5—Benzeneteracarboxylic acid）

The title complex, [La(btec)_1/2(H₂btec)_1/2 (H₂O)]_n (H₄btec= 1, 2,4,5‐benzenetetracarboxylic acid) (1) was synthesized by the hydrothermal reaction of 1,2,4,5‐benzenetetracarboxylic dianhydride with La(NO₃)₃·6H₂O in H₂O, and crystallizes in the triclinic system, space group P‐1 with a = 0.64403(3) nm, b = 0.94500(4) nm, c = 0.96380(5) nm, a = 88.535(2)°, β = 100.314(2)°, γ = 76.6470(10)°, V = 1.60968(10) nm³, Z = 2, and final R = 0.0274, R_w = 0.0735. In 1, each La(m) ion is coordinated by eight oxygen atoms from six carboxylate groups and one coordinated water molecule. Two different coordination modes of H₄btec were present in the structure, one of which contains two protonated carboxylate groups to balance the charge.     

Synthesis and Crystal Structure of a New Quinazolinone Compound 2,3-Dihydro-2-（2-hydroxyphenyl）-3-phenyl-quinazolin-4（1H）-one

A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenylquinazolin-4(IH)-one 3 ([C2oH16O2N2]-C2H5OH, Mr = 362.42) and compound 2-(2-hydroxybenzylidene-amino)-N-phenyl-benzamide 2 (C2oH16O2N2, Mr = 316.34) were prepared from a precursor of 2-amino-N-phenyl-benzamide 1 (C13H12ON2, Mr = 212.25). Compound 3 was characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic,space group Pbca with a = 1.2889(11), b = 1.6170(14), c = 1.7729(15) nm, V= 3.695(6) nm^3, Z= 8, F(000) = 1536, Mr = 362.42, Dc = 1.303 g/cm^3, μ(MoKa) = 0.087 mm^-1, R = 0.0447 and wR= 0.0879. The crystal structure analysis indicates that the title compound has a two-dimensional network structure formed by hydrogen bonds and electrostatic interactions.