| 142246-14-8

• CAS: 142246-14-8
• 化学式: Br₄Fe*C₁₂H₁₂Mo
• 分子量: 627.63
• InChiKey: KJRZGLXDDBJPKR-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

• 作为产物：
  描述：

  bis(η-benzene)molybdenum hexafluorophosphate 、 tetraethylammonium tetrabromoferrate(III) 以 二氯甲烷 为溶剂， 以25%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of organometallic charge-transfer salts containing the bis(benzene)molybdenum radical cation

  摘要：

  The salt [Mo(eta-C6H6)2][PF6] has been prepared by iodine oxidation of [Mo(eta-C6H6)2] followed by metathesis with NaPF6. The cyclic voltammogram of [Mo(eta-C6H6)2][PF6] in MeCN exhibits a reversible redox couple (E1/2) at -730 mV vs. a saturated calomel electrode (SCE). The solid-state room-temperature EPR spectrum exhibits an isotropic resonance centred at g = 1.993 which is consistent with an assignment of a 2A1g ground state for the 17-electron [Mo(eta-C6H6)2]+ radical cation. The salt [Mo(eta-C6H6)2][FeBr4] has been synthesised from [NEt4][FeBr4] and [Mo(eta-C6H6)2][PF6]. It crystallises in the orthorhombic space group Pbca, a = 18.527(17), b = 12.521(5), c = 14.915(6) angstrom; R and R' = 0.051 and 0.059. The salt [Mo(eta-C6H6)2][FeBr4] consists of segregated chains of cations and anions. The solid-state room-temperature EPR spectrum exhibits two resonances centred at g = 1.987 and 2.008 assignable to the cation and anion respectively. The solid-state magnetic susceptibility data for [Mo(eta-C6H6)2][FeBr4] can be fitted to the Curie-Weiss law between 40 and 300 K with C = 3.93 and theta = -5.4 K. Below 15 K the [FeBr4]- anion sub-lattice orders antiferromagnetically leaving a magnetic susceptibility which is dominated by the [Mo(eta-C6H6)2]+ cations.

  DOI：

  10.1039/dt9920001351