含2，2′-联吡啶配体簇合物的合成、晶体结构及非线性光学性质

The Cluster compound [Cu₃BrWOS₃(bipy)₂] was synthesized by reaction of (NH₄)₂WOS₃， CuBr， 2，2′- bipyridine and n-Bu₄NBr at room temperature and characterized by IR， UV and elemental analyses. The structure of [Cu₃BrWOS₃(bipy)₂] was determined by single crystal X-ray diffraction revealing that the cluster consist of a nest -shaped core. The W atom is tetrahedrally coordinated by three S atoms and one O atom. There are two types of copper atoms in the WOS₃Cu₃ aggregate： two copper atoms are tetrahedrally coordinated and another copper atom is trigonally coordinated. The nonlinear optical properties were studied with an 8ns pulsed laser at 532nm. Its optical responses to the incident light exhibit considerably optical absorptive and strong self-focusing effect with α₂=0.90×10^-10m·W^-1， n₂=2.72×10^-18m²·W^-1. CCDC： 196348.     

金属簇合物[(n-Bu)4N]3[WS4Ag3X3Br](X=Cl,Br,I)的热行为和热分解反应动力学

用TG-DTG-DTA联用技术研究了金属簇合物[(n-Bu)₄N]₃[WS₄Ag₃X₃Br](X=Cl,Br,I)在动态氮气气氛中的热行为和热性质,通过对热分解过程中各步反应中间体的元素分析跟踪,判断了相应的分解组分;并结合其物质结构进行了讨论。对各步反应进行了动力学分析,并通过活化能和反应进程的依赖关系探讨了反应的复杂性。     

高效液相色谱法测定手性四面体金属簇合物对映体过量值

在自制的直链淀粉-三(苯基氨基甲酸酯)(ATPC)高效液相色谱手性固定相(HPLC—CSP)上，优化了手性四面体金属簇合物的手性分离条件，测定了不同合成条件下得到的手性四面体金属族合物CoMo(C0)5C5H4C(O)CH3(μη^2-HC≡CCH2OH)的对映体过量值(e.e)。结果表明：高效液相色谱手性固定相法是拆分这类化合物的一种理想方法。     

M_2M_2′Te_4型层状异金属簇合物的SCC—DV—Xα研究(M=Co、Ni;M′=Ta、Nb)

标题簇合物的电子结构采用电荷自洽离散变分Xα方法(SCC—DV—Xα)计算得到。在前线区轨道密集,具有半导体的特征;层状结构内存在离域性d-p(π+α)键,这是该类簇合物导电的依据;Ni—Ni或Co—Co之间不存在成键。描述了它们的态密度图,并说明了与合金的DOS图相似点。     

Structure and magnetic property of bimetallic hexanuclear cluster based on 5-chlorosalicylaldehyde oxime

The bimetallic hexanuclear cluster [Mn4Ni2O2（Cl-Sao）6.（CH3OH）8].10CH3OH （1） was synthesized. Single-crystal X-ray analysis reveals that 1 consists of two [Mn2Ni（μ3-O）（Cl-Sao）3] subunits linked together via two pairs of long Ni-O bonds involving two oximate oxygen atoms and two phenolate oxygen atoms. Each Mn and Ni center achieves six-coordination with axial methanol molecules. The spin centers of the Mnm and Niu ions exchange magnetic coupling through O2-, O-phenolate and -N-O- bridges. The magnetic properties of the cluster have been investigated.