bis(η-benzene)molybdenum hexafluorophosphate | 59464-76-5

• 英文名称: bis(η-benzene)molybdenum hexafluorophosphate
• CAS: 59464-76-5
• 化学式: C₁₂H₁₂Mo*F₆P
• 分子量: 397.131
• InChiKey: ZTMYDYFNVOGYLV-UHFFFAOYSA-N

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：

  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
• 作为产物：
  描述：

  sodium hexaflorophosphate 、 bis(benzene)molybdenum 在 I₂ 作用下， 以 甲醇 、 苯 为溶剂， 以80%的产率得到bis(η-benzene)molybdenum hexafluorophosphate
  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

文献信息

• Arene–molybdenum chemistry: reactions of di-µ-chloro-bis[(η-allyl)-(η-arene)molybdenum] with cyclic olefins
  作者：Malcolm L. H. Green、John Knight

  DOI：10.1039/dt9760000213

  日期：——

  compounds [Mo(η-C3H5)(η-arene)Cl}2](arene = C6H6, C6H5Me, or C6H3Me3-1,3,5) react with norbornadiene (nbd), cyclo-octa-1,3,5,7-tetraene(cot), or cyclohepta-1,3,5-triene (cht), and the corresponding cations [Mo(η-C3H5)(η-arene)(η-olefin)]+ have been is olated from the hydrolysed reaction mixtures. Prolonged reaction with cht yields the cycloheptatrienly sandwich compounds [Mo(η-C7H7)(η-arene)][PF6]. The comound

  紫色溶液形成形式（AlEtCl 2）2和化合物[沫（η-C 3 H ^ 5）（η-芳烃）氯} 2 ]（芳烃= C 6 H ^ 6，C 6 ħ 5 Me中，或C 6 H 3 Me 3 -1,3,5）与降冰片二烯（nbd），环辛-1,3,5,7-四烯（cot）或环庚-1,3,5-三烯（cht）反应，相应的阳离子[沫（η-C 3 H ^ 5）（η-芳烃）（η烯烃）] +已被从水解反应混合物olated。与CHT延长的反应产生了cycloheptatrienly夹心化合物[沫（η-C 7H 7）（η-芳烃）] [PF 6 ]。所述comound [沫（η-C 3 H ^ 5）（η-C 6 H ^ 6）（CHT）] [PF 6 ]经受在氧化铝柱上去质子化到中性化合物[沫（η-C 3 H ^ 5）（η -C 6 ħ 6）（η 3 -C 7 ħ 7）]。与在氯化锂或碱性连二亚硫酸钠的存在下，产物的环戊烯和水解的紫色溶液反应给出[沫（η-C