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化学学报
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化学学报 ›› 1988, Vol. 46 ›› Issue (10): 972-977. 上一篇    下一篇

研究论文

含Fe3S3簇核的两个异构体化合物的合成和结构研究

刘平;黄梁仁;王玲玲;康北笙;卢嘉锡   

  1. 中国科学院福建物质结构研究所
  • 发布日期:1988-10-15

Investigation on synthesis and structure of two isomeric compounds containing a Fe3S3 cluster centre

LIU PING;HUANG LIANGREN;WANG LINGLING;KANG BEISHENG;LU JIAXI   

  • Published:1988-10-15

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用氯化亚铁、苯硫酚钠及溴化四乙基铵在乙腈溶液中, 经一步反应, 得到两个同分异构的化合物α-[Et4N]3[Fe3(PhS)3Cl3Br3]1和β-[Et4N]3[Fe3(PhS)3Cl3Br3]2. X射线晶体结构测定表明, 1和2的阴离子骨架为3Fe、3S交叉排列的六元环, 前者为扭船型,后者为椅型. 1属单斜晶系, 空间群C2/c, 晶胞参数: a=24.569(4), b=13.504(2),c=18.348(3)埃, β=110.78(1)°. Z=4, R=0.070. 2属三方晶系, 空间群P3cl, 晶胞参数: a=b=13.720(3), c=35.748(5)埃, Z=4, R=0.059. 讨论了反应和结构特点.

关键词: 分子结构, 铁络合物, 苯硫酚 P, 固氮酶, 簇状化合物, 异构体, 过渡金属络合物, 硫络合物

Two conformers of [Et4N]3[Fe3(PhS)3Cl3Br3] were prepared through 1 step reaction of FeCl2 with NaSPh and Et4NBr in MeCN. The skeletons of the anions are 6-membered rings with alternative Fe and S arrangement, 1 existing in twist boat form and the other in a chair form. Crystals are monoclinic, space group C2/c, Z = 4, R = 0.070, and trigonal, space group P3c1, Z = 4, R = 0.059, resp. The characteristics of the reaction and structures are discussed.

Key words: MOLECULAR STRUCTURE, IRON COMPLEX, BENZENETHIOL P, NITROGENASE, CLUSTER COMPOUND, ISOMER, TRANSITION METAL COMPLEX, SULFIDE COMPLEX

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