[Mo3(CoCl)S4(1,2-bis(dimethylphosphanyl)ethane)3Cl3] | 790224-79-2

• 英文名称: [Mo3(CoCl)S4(1,2-bis(dimethylphosphanyl)ethane)3Cl3]
• 英文别名: [Mo3(CoCl)S4(dmpe)3Cl3]
• CAS: 790224-79-2
• 化学式: C₁₈H₄₈Cl₄CoMo₃P₆S₄
• 分子量: 1067.31
• InChiKey: YJIVTBXNAOAPJD-UHFFFAOYSA-J

计算性质

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

反应信息

• 作为反应物：
  描述：

  [Mo3(CoCl)S4(1,2-bis(dimethylphosphanyl)ethane)3Cl3] 、 碘 以 二氯甲烷 为溶剂， 以95%的产率得到[Mo3(CoI)S4(dmpe)3Cl3]I
  参考文献：
  名称：

  Use of a cubane-type Mo3CoS4 molecular cluster as paramagnetic unit in the synthesis of hybrid charge-transfer salts

  摘要：

  Selective substitution of the chlorine atom coordinated to cobalt in the paramagnetic Mo-3(CoCl)S-4 (dmpe)(3)Cl-3 (dmpe = 1,2-bis(dimethylphosphanyl) ethane) complex with a S = 1/2 ground state has been achieved by iodine oxidation to afford the also paramagnetic [Mo-3(CoI)S-4(dmpe)(3)Cl-3] I ([1]I) salt with a S = 1 ground state in almost quantitative yield. Replacement of chorine by iodine has no significant effect on the structural and electrochemical properties of the Mo3CoS4 system. Metathesis of the [1]I salt with the paramagnetic nickel anionic dithiolate [Ni(mnt)(2)] (mnt = maleonitrilodithiolate) affords [1](2)[Ni(mnt)(2)]. The stoichiometry evidenced by X-ray analysis reveals that reduction of the [Ni(mnt)(2)] radical to the corresponding diamagnetic closed shell [Ni(mnt)(2)](2) dianion, presumably via dismutation, has occurred during the metathesis process. The crystal structure of [1](2)[Ni(mnt)(2)] consists of [Ni(mnt) 2] 2 similar to dianions sandwiched by two cluster 1+ cations which yield {1(+)center dot[Ni(mnt)(2)](2)center dot 1(+)} subunits arranged along the crystallographic c axis. Magnetic susceptibility measurements for [1](2)[Ni(mnt)(2)] show a chi T product of 0.99 emu K/mol largely unchanged in the 10-300 K range. This behavior agrees with the presence of an S = 1 cluster 1(+) cation while the Ni(mnt)(2) moiety does not contribute to the paramagnetism of the sample. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.029
• 作为产物：
  描述：

  [Mo3S4(dmpe)3Cl3]BPh4 、 cobalt(II) chloride 以 not given 为溶剂， 生成 [Mo3(CoCl)S4(1,2-bis(dimethylphosphanyl)ethane)3Cl3]
  参考文献：
  名称：

  Use of a cubane-type Mo3CoS4 molecular cluster as paramagnetic unit in the synthesis of hybrid charge-transfer salts

  摘要：

  Selective substitution of the chlorine atom coordinated to cobalt in the paramagnetic Mo-3(CoCl)S-4 (dmpe)(3)Cl-3 (dmpe = 1,2-bis(dimethylphosphanyl) ethane) complex with a S = 1/2 ground state has been achieved by iodine oxidation to afford the also paramagnetic [Mo-3(CoI)S-4(dmpe)(3)Cl-3] I ([1]I) salt with a S = 1 ground state in almost quantitative yield. Replacement of chorine by iodine has no significant effect on the structural and electrochemical properties of the Mo3CoS4 system. Metathesis of the [1]I salt with the paramagnetic nickel anionic dithiolate [Ni(mnt)(2)] (mnt = maleonitrilodithiolate) affords [1](2)[Ni(mnt)(2)]. The stoichiometry evidenced by X-ray analysis reveals that reduction of the [Ni(mnt)(2)] radical to the corresponding diamagnetic closed shell [Ni(mnt)(2)](2) dianion, presumably via dismutation, has occurred during the metathesis process. The crystal structure of [1](2)[Ni(mnt)(2)] consists of [Ni(mnt) 2] 2 similar to dianions sandwiched by two cluster 1+ cations which yield {1(+)center dot[Ni(mnt)(2)](2)center dot 1(+)} subunits arranged along the crystallographic c axis. Magnetic susceptibility measurements for [1](2)[Ni(mnt)(2)] show a chi T product of 0.99 emu K/mol largely unchanged in the 10-300 K range. This behavior agrees with the presence of an S = 1 cluster 1(+) cation while the Ni(mnt)(2) moiety does not contribute to the paramagnetism of the sample. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.029