[Mo3S4Br3(dmpe)3]PF6 | 345642-63-9

• 英文名称: [Mo3S4Br3(dmpe)3]PF6
• CAS: 345642-63-9
• 化学式: C₁₈H₄₈Br₃Mo₃P₆S₄*F₆P
• 分子量: 1251.18
• InChiKey: QINBZXFDYVBWKT-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Mo3S4Br3(dmpe)3]PF6 、 copper(I) bromide 以 四氢呋喃 为溶剂， 以36%的产率得到[Mo3CuS4Br4(dmpe)3](PF6)
  参考文献：
  名称：

  具有末端膦配体的异双金属[M（3）CuS（4）]长方体簇（M = Mo或W）的合成，结构和光学限制性质。

  摘要：

  式[Mo（3）CuS（4）Cl（4）（dmpe）（3）]（PF（6））（4），[Mo（3）CuS（4）Br（4）（ dmpe）（3）] [PF（6））（5）和[W（3）CuS（4）Br（4）（dmpe）（3）]（PF（6））（6）的制备反应不完整的立方三聚体[Mo（3）S（4）Cl（3）（dmpe）（3）] [PF（6））（1），[Mo（3）S（4）Br（3）（dmpe ）（3）] [PF（6））（2）和[W（3）S（4）Br（3）（dmpe）（3）]（PF（6））（3），分别用CuX （X = Cl或Br）或在THF中的单核铜络合物[Cu（CH（3）CN）（4）]（+）。该反应的发生没有金属氧化态的整体变化，具有[M（3）CuS（4）]（5+）核的化合物4-6具有16 e（-）用于金属-金属键合。X射线结构分析4-6显示M（3）Cu单元的有效C（3v）对称性，MM距离在统计上对于M =

  DOI：

  10.1021/ic010098y
• 作为产物：
  描述：

  六氟磷酸钾 、 、 1,2-双(二甲基瞵)乙烷 以 乙腈 为溶剂， 以93%的产率得到[Mo3S4Br3(dmpe)3]PF6
  参考文献：
  名称：

  High yield synthesis of trinuclear [M3S4X3(diphos)3]+ (M=Mo, W; X=Cl, Br and diphos=dmpe, dppe) molecular clusters from solid state materials. Synthesis and structure of [W3S4H3(dppe)3](BPh4)

  摘要：

  The excision of polymeric {M3S7X4}(x) (M = Mo. W; X = Cl, Br) cluster phases with diphosphines (dmpe, dppe) in acetonitrile affords a one step general synthetic route for the preparation of trinuclear molecular clusters with formula [M3S4X3(diphos)(3)](+) (M=Mo, W: X=Cl, Br and diphos = dmpe. dppe) in high yields, Following this strategy, the cluster cations [Mo3S4Br3(dmpe)(3)](+) and [W3S4Br3(dppe)(3)](+) have been prepared for the first time. This last tungsten cluster has proved to be a useful synthon for the synthesis of the hydride derivative [W3S4H3(dppe)(3)](+) in moderate yields. The crystal structure of [W3S4H3(dppe)(3)](BPh4) consists of a equilateral tungsten triangle with one capping and three bridging sulfur atoms defining a incomplete W3S4 cuboidal unit in which the tungsten and the sulfur atoms occupy adjacent vertex of a cube with a metal atom missing. The hydride ligand occupies the outer position of the metal in a pseudo-octahedral environment. The other two outer positions on each metal are occupied by the diphosphine phosphor us atoms. located one above and one bellow the M-3 plane resulting in two different P-31(H-1} NMR signals. Electrochemical studies for all trinuclear clusters reported show one quasi reversible and one irreversible reduction process. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00640-9

文献信息

• Heterobimetallic cuboidal [Mo3NiS4] and [W3NiS4] cluster diphosphane complexes as molecular models in hydrodesulfurization catalysis
  作者：Marta Feliz、Rosa Llusar、Santiago Uriel、Cristian Vicent、Michael Brorson、Konrad Herbst

  DOI：10.1016/j.poly.2005.04.004

  日期：2005.7

  Treatment of the cationic, incomplete cubane-type sulfido clusters [M3S4X3(diphos)(3)](+) (M = Mo, W; X = Cl, Br; diphos = dmpe (1,2-bis(dimethylphosphanyl)ethane), dppe (1,2-bis(diphenylphosphanyl)ethane)) with an excess of [Ni(cod)(2)] (cod = 1,5-cyclooctadiene) afforded the heterobimetallic single cube clusters [M3NiS4X3(diphos)(3)(CH3CN)](+) as PF6- salts. The acetonitrile ligand could be substituted by pyridine, tetrahydrothiophene and carbon monoxide in CH2Cl2 at room temperature, modelling the catalytic sites of heterogeneous Ni-MoS2 hydrodesulfurization catalysts. X-ray crystal structure analyses of [MO3NiS4Cl3(dmpe)(3)(CH3CN)]BPh4 and [W3NiS4Br3(dmpe)(3)(CO)]PF6 are reported. Electrochemical studies by cyclic voltammetry reported for all heterobimetallic [M3NiS4] clusters show two quasireversible oxidation processes, the molybdenum complexes being ca. 0.2 V more difficult to oxidize than the tungsten analogues. (c) 2005 Elsevier Ltd. All rights reserved.