cobalt(3+);5-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;hexafluorophosphate | 167323-08-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: cobalt(3+);5-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;hexafluorophosphate
• CAS: 167323-08-2
• 化学式: C₄₈H₆₂CoFe₂*F₆P
• 分子量: 954.672
• InChiKey: XUFLAQQMSTXHOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.55
• 重原子数：
  58
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  ferrocenium hexafluorophosphate 、 cobalt(3+);5-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;hexafluorophosphate 以 二氯甲烷 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of Trimetallocenes and Trimetallocenium Salts

  摘要：

  A range of trinuclear metallocene and metallocenium complexes have been prepared using the ferrocene-functionalized lithium salts Li+(FcCMe(2)C(5)H(4))- (2; Fc = Fe(eta-C5H5)(eta-C5H4)), Li+{FcC(=CH2)C5H4}(-) (4), and Li+(Fc''CH2C5H4)(-) (8; Fc'' = Fe(eta-C(5)Me(4)H)(eta-C(5)Me(4))). The triferrocenes (FcCMe(2)C(5)H(4))(2)Fe (3) and (FcC(=CH2)C5H4)(2)Fe (5) consist of a central ferrocene. linked by single-cal;bon bridges to two terminal ferrocene units, whereas (Fc''CH2C5H4)(2)M (M = Fe (9), Co (10), Cr (11)) have terminal octamethylferrocene units. Cyclic voltammetry experiments reveal that 3 and 5 exhibit three reversible redox processes, indicating significant electrostatic interactions between the metal centers in these complexes. For 9 and 10 two redox events are observed. A range of metallocenium salts with diamagnetic and paramagnetic anions has also been synthesized from these trimetallocenes. Variable-temperature magnetic susceptibility data on paramagnetic trimetallocenes and trimetallocenium salts all obey the Curie-Weiss law, with no evidence for significant spin-spin exchange interactions between metal centers. The charge-transfer salts {(Fc''CH2C5H4)(2)Fe}(2+)(TCNE(-))(2) (17; TCNE = tetracyanoethylene) and {(Fc''CH2C5H4)(2)Co}(3+)(TCNE(-))(3)(18) have been prepared and their magnetic properties investigated.

  DOI：

  10.1021/om00007a054
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 cobalt(2+);5-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene 以 四氢呋喃 为溶剂， 以74%的产率得到cobalt(3+);5-(cyclopenta-2,4-dien-1-ylmethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene;iron(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;hexafluorophosphate
  参考文献：
  名称：

  Synthesis and Characterization of Trimetallocenes and Trimetallocenium Salts

  摘要：

  A range of trinuclear metallocene and metallocenium complexes have been prepared using the ferrocene-functionalized lithium salts Li+(FcCMe(2)C(5)H(4))- (2; Fc = Fe(eta-C5H5)(eta-C5H4)), Li+{FcC(=CH2)C5H4}(-) (4), and Li+(Fc''CH2C5H4)(-) (8; Fc'' = Fe(eta-C(5)Me(4)H)(eta-C(5)Me(4))). The triferrocenes (FcCMe(2)C(5)H(4))(2)Fe (3) and (FcC(=CH2)C5H4)(2)Fe (5) consist of a central ferrocene. linked by single-cal;bon bridges to two terminal ferrocene units, whereas (Fc''CH2C5H4)(2)M (M = Fe (9), Co (10), Cr (11)) have terminal octamethylferrocene units. Cyclic voltammetry experiments reveal that 3 and 5 exhibit three reversible redox processes, indicating significant electrostatic interactions between the metal centers in these complexes. For 9 and 10 two redox events are observed. A range of metallocenium salts with diamagnetic and paramagnetic anions has also been synthesized from these trimetallocenes. Variable-temperature magnetic susceptibility data on paramagnetic trimetallocenes and trimetallocenium salts all obey the Curie-Weiss law, with no evidence for significant spin-spin exchange interactions between metal centers. The charge-transfer salts {(Fc''CH2C5H4)(2)Fe}(2+)(TCNE(-))(2) (17; TCNE = tetracyanoethylene) and {(Fc''CH2C5H4)(2)Co}(3+)(TCNE(-))(3)(18) have been prepared and their magnetic properties investigated.

  DOI：

  10.1021/om00007a054