Cp2ReH | 98814-96-1

• 英文名称: Cp2ReH
• CAS: 98814-96-1
• 化学式: C₂₀H₃₁Re
• 分子量: 457.673
• InChiKey: BERAWTCXJRRNQO-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：

  Cp2ReH 以 正戊烷 为溶剂， 以60%的产率得到decamethylrhenocene
  参考文献：
  名称：

  氢化双（η-五甲基环戊二烯基）r的合成及其光化学转化为十甲基r

  摘要：

  vapor蒸气与1,2,3,4,5-五甲基环戊二烯的共缩合反应生成氢化双（η-五甲基环戊二烯基）;。氢化物的光解产生单体双（η-五甲基环戊二烯基）r，后者的还原得到稳定的阴离子，其可以容易地转化为双（η-五甲基环戊二烯基）甲基r。

  DOI：

  10.1039/c39850000967
• 作为产物：
  描述：

  C₂₀H₃₀Re^(1-) 在 water 作用下， 生成 Cp2ReH
  参考文献：
  名称：

  氢化双（η-五甲基环戊二烯基）r的合成及其光化学转化为十甲基r

  摘要：

  vapor蒸气与1,2,3,4,5-五甲基环戊二烯的共缩合反应生成氢化双（η-五甲基环戊二烯基）;。氢化物的光解产生单体双（η-五甲基环戊二烯基）r，后者的还原得到稳定的阴离子，其可以容易地转化为双（η-五甲基环戊二烯基）甲基r。

  DOI：

  10.1039/c39850000967

文献信息

• Electronic Structure and Photophysics of Low Spin d5 Metallocenes
  作者：Ann Marie May、Mawuli Deegbey、Kedy Edme、Katherine J. Lee、Robin N. Perutz、Elena Jakubikova、Jillian L. Dempsey

  DOI：10.1021/acs.inorgchem.3c03451

  日期：2024.1.29

  potentials for both metallocenes reveal their potential potency as excited state reductants (E°′([MnCp*2]+/0*) = −3.38 V and E°′([ReCp*2]+/0*) = −2.61 V vs Fc+/0). Comparatively, both complexes exhibit mild potentials for photo-oxidative processes (E°′([MnCp*2]0*/–) = −0.18 V and E°′([ReCp*2]0*/–) = −0.20 V vs Fc+/0). These results showcase the rich electronic structure of low spin d5 metallocenes and their

  研究了两种低自旋茂金属：十甲基锰茂 (MnCp* 2 ) 和十甲基二萘茂 (ReCp* 2 ) 的电子结构和光物理学，以探讨它们作为光氧化还原试剂的前景。计算研究支持两种配合物的2 E 2基态构型和低能配体到金属电荷转移跃迁的分配。在室温下，戊烷中 τ = 1.8 ns 的 ReCp* 2观察到弱发射，而 MnCp* 2不发射。对两种茂金属的激发态还原电位的计算揭示了它们作为激发态还原剂的潜力（ E °′([MnCp* 2 ] +/0* ) = −3.38 V 和E °′([ReCp* 2 ] +/0 * ) = −2.61 V vs Fc +/0 )。相比之下，两种配合物都表现出温和的光氧化过程潜力（ E °′([MnCp* 2 ] 0*/– ) = -0.18 V 和E °′([ReCp* 2 ] 0*/– ) = -0.20 V与 Fc +/0相比）。这些结果展示了低自旋 d 5茂金
• Decamethylrhenocene, (.eta.5-C5Me5)2Re
  作者：Judith A. Bandy、F. Geoffrey N. Cloke、Glyn. Copper、Jeremy P. Day、Reuben B. Girling、Robin G. Graham、Jennifer C. Green、Roger. Grinter、Robin N. Perutz

  DOI：10.1021/ja00223a023

  日期：1988.7
• Bis(η-pentamethylcyclopentadienyl) complexes of molybdenum, tungsten and rhenium via metal vapour synthesis
  作者：F. Geoffrey N. Cloke、Jeremy P. Day、Jennifer C. Green、Christopher P. Morley、Anthony C. Swain

  DOI：10.1039/dt9910000789

  日期：——

  Co-condensation of molybdenum or tungsten atoms with 1,2,3,4,5-pentamethylcyclopenta-1,3-diene (C5HMe5) affords the decamethylmetallocene dihydrides [M(eta-C5Me5)2H2] (M = Mo or W). UV photolysis of the latter results in the sequential formation of the 'tucked-in' compounds [M(eta-C5Me5) (eta-6-C5Me4CH2)H] and [M(eta-C5Me5)eta-7-C5Me3(CH2)2}] (M = Mo or W). For the tungsten analogue, deuterium labelling studies show that the latter reaction proceeds via the decamethylmetallocene followed by intramolecular oxidative addition to a ring methyl group. Treatment of [W(eta-C5Me5)2H2] with CCI4 yields [W(eta-C5Me5)2CI2], which reacts with ZnMe2 to afford [W(eta-C5Me5)2Me2] and with LiCH2Bu(t) to afford [W(eta-C5Me5) (eta-6-C5Me4CH2)Cl]. Reduction of [W(eta-C5Me5)2Cl2] with sodium amalgam gives [W(eta-C5Me5) (eta-6-C5Me4CH2)H]; reduction of the latter with potassium affords an intermediate anion, which reacts with water or iodomethane to give [W(eta-C5Me5)2H2] or [W(eta-C5Me5)2Me2] respectively. [Mo(eta-C5Me5)2H2] reacts with 1,2-diiodoethane to give [Mo(eta-C5Me5)2I2], which is reduced by sodium amalgam to [Mo(eta-C5Me5)(eta-C5Me4CH2)H]; there is no evidence for the formation of [Mo(eta-C5Me5)2}2]. Co-condensation of rhenium atoms with C5HMe5 yields [Re(eta-C5Me5)2H] and [Re(eta-C5Me5)(eta-6-C5Me4CH2], both of which can be reversibly protonated to give [Re(eta-C5Me5)2H2]+ and [Re(eta-C5Me5)(eta-6-C5Me4CH2)H]+ respectively. UV photolysis of [Re(eta-C5Me5)2H] gives the stable 17-electron metallocene [Re(eta-C5Me5)2], which reacts with nitric oxide to afford the bent nitrosyl derivative, [Re(eta-C5Me5)2(NO)]. [Re(eta-C5Me5)2] may be reduced to the diamagnetic anion [Re(eta-C5Me5)2]- with potassium; the latter reacts with iodomethane to afford [Re(eta-C5Me5)2CH3], but the analogous reaction with chloro- or iodo-methyl ether results in the unexpected formation of [Re(eta-C5Me5)eta-CH2OMe)}Me]. Oxidation of [Re(eta-C5Me5)2] with AgBF4 gives the 'tucked-in' cation [Re(eta-C5Me5)(eta-6-C5Me4CH2)H]+, which is also obtained from the reaction of [Re(eta-C5Me5)2H] with chlorocarbons. UV photolysis of [Re(eta-C5Me5)(eta-6-C5Me4CH2)H]+ gives the doubly 'tucked-in' cation [Re(eta-C5Me5)eta-7-C5Me3(CH2)2}]+; photolysis of [Re(eta-C5Me5)2H2]+ also results in the stepwise formation of [Re(eta-C5Me5)(eta-6-C5Me4CH2)H]+ and [Re(eta-C5Me5)eta-7-C5Me3(CH2)2}]+.