钼铁硫簇合物的合成、结构和性质研究

本文综合报导[(C_4H_9)_4N]_3[Fe(MoS_4)_2O],[(C_2H_5)_4N]_3[Fe(MoS_4)_2O_2],[(C_2H_5)_4N]_3 [Fe(MoS_4)_2O_2]·CH_3CH,[(C_4H_9)_4M]_2[Mo_2S_6O_2],[(C_2H_5)_4N]_3{[(SCH_2CH_2S)MoS_3]_2Fe}和[(C_2H_5)_4N]_4[Fe_6S_9(SCH_2CH_2OH)Cl]六种簇合物的合成、结构和性质研究。在Nicolct R_3 system四园单晶衍射仪上,用CuK_a(MoK_a)辐射收集数据,用SHELXTL程序,重原子法解出这些簇合物的晶体结构。用红外光谱,紫外可见光谱和穆斯堡尔谱对簇合物进行了物理性质的测定。同时在还原剂KBH_4存在下,对簇合物的催化乙炔还原为乙烯的活性也进行了测定。并结合量子化学计算探讨了簇合物的电子结构和性能之间的关系。

STUDIES ON SYNTHESIS, STRUCTURE AND PROPERTIES OF Mo-Fe-S CLUSTER COMPOUNDS

In this paper, the synthesis, structure and properties of six type cluster compounds, C(C4H8)4N]3 [Fe(MoS4)2O], [(C2H5)4N]3 [Fe(MoS4)2O2], [(C2H5)4N]39Fe(MoS4)2O2] CH3CN, L(C2H5)4N]3 {[(SCH2CH2S)MoS332 Fe}, [(C4H8)4N]2[Mo2S5O2]and C(C2H5)4N]4 [Fe6S9(SCH2CH2OH)CL] are reported. The crystal structure of these cluster compounds had been determined by X-ray method. The data of diffractional intensities of single crystals were obtained on a four-circle automatic diffractometr with CuKa (or MoK2) radiation (Nicolet XRD Rs system) and the structure was worked out by the method of heavy atom using SHELXTL programme. The physical properties of these cluster compounds had been determined with IR, UV-Visible and Mossbauer spectra. Simultaneously, the catalytic activity of some cluster compounds in reduction of acetylene to ethylene using KBH4 as the reductant was measured too, and the problem of electronic structure of the cluster compounds was discussed in combination with quantum-chemical calculations,,