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化学学报
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化学学报 ›› 1987, Vol. 45 ›› Issue (2): 133-138. 上一篇    下一篇

研究论文

MoFe3S4单立方烷原子簇研究II. MoFe3S4(C5H10NCSS)5的合成与结构

刘秋田;黄梁仁;康北笙;杨瑜;卢嘉锡   

  1. 中国科学院福建物质结构研究所
  • 发布日期:1987-02-15

Investigation of single MoFe3S4 cubane-like clusters II, Synthesis and structure of MoFe3S4(C5H10NCSS)5

LIU QIUTIAN;HUANG LIANGREN;KANG BEISHENG;YANG YU;LU JIAXI   

  • Published:1987-02-15

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486

被引次数

5

六氢吡啶基二硫代甲酸钠盐、氯化亚铁及四硫代钼酸铵在二甲基甲酰胺及二氯甲烷中,经一步自兜反应,分别得到了[MoFe3S4(C5H10NCSS)5]DMF及[MoFe3S4(C5H10NCSS)5]CH2Cl2.通过X射线衍射测定了后者的晶体结构,比较了它与[MoFe3S4(Et2NCSS)5]^-结构特点的异同,同时研究了反应物摩尔比对产物的影响以及溶剂分子的置换反应.

关键词: 晶体结构测定, Ｘ射线衍射分析, 取代反应, 铁络合物, 固氮酶, 钼络合物, 簇状化合物, 分子轨道理论, 硫络合物, 自兜反应

MoFe3S4 singel cubane-like cluster compounds, [MoFe3S4(RCS2)5].DMF and [MoFe3S4(RCS2)5].CH2Cl2 (I) (R = piperidino) were obtained by 1-step spontaneous self-assembly reaction of FeCl2, (NH4)2MoS4 with RCS2Na in DMF or CH2Cl2, resp. I is orthorhombic, space group Pbca, with a 19.222(7), b 27.853(4), c 19.456(3) ? d.(calcd.) = 1.645 g cm3, Z = 8, R = 0.097. Its structural feature, as compared with [MoFe3S4(Et2NCS2)5], exhibits obvious differences resulting from the disparity of the core oxidation states. The effect of reactant ratio on the product and the substitution reaction of solvent mol. in these compounds were also discussed.

Key words: CRYSTAL STRUCTURE DETERMINATION, X-RAY DIFFRACTION ANALYSIS, SUBSTITUTION REACTION, IRON COMPLEX, NITROGENASE, MOLYBDENUM COMPLEX, CLUSTER COMPOUND, MOLECULAR ORBITAL THEORY, SULFIDE COMPLEX, SPONTANEOUS SELF-ASSEMBLE REACTION

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