(tetramethylcyclopentadienyl)3U | 161619-61-0

• 英文名称: (tetramethylcyclopentadienyl)3U
• 英文别名: (tetramethylcyclopentadienyl)₃U；Cp^tet₃U；U(tetramethylcyclopentadienyl)3；(C5Me4H)3U
• CAS: 161619-61-0
• 化学式: C₂₇H₃₉U
• 分子量: 601.636
• InChiKey: SYWFKDFHEWAHRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 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：

  氯代叔丁烷 、 (tetramethylcyclopentadienyl)3U 以 甲苯 为溶剂， 以100%的产率得到chlorotris(tetramethylcyclopentadienyl)uranium(IV)
  参考文献：
  名称：

  Facile Syntheses of Unsolvated UI₃ and Tetramethylcyclopentadienyl Uranium Halides

  摘要：

  In the course of comparing the reaction chemistry of (C5Me5)(3)U, 1, and its slightly less crowded analogue (C5Me4H)(3)U, 2, new syntheses of Ul(3), (C5Me4H)(3)U, (C5Me4H)(3)UCl, 3, and (C5Me5)(3)UCl, 4, have been developed. Additionally, (C5Me4H)(3)Ul, 5, and (C5Me4H)(2)UCl2, 6, have been identified for the first time. A facile synthesis of unsolvated Ul(3) is reported that proceeds in high yield with inexpensive equipment from iodine and hot uranium turnings. Both Ul(3) and Ul(3)(THF)(4) react with KC5Me4H in toluene to make unsolvated (C5Me4H)(3)U in higher yield than in previous reports that involve reduction of tetravalent (C5Me4H)(3)UCl, 3. A more atom-efficient synthesis of complex 3 is also reported that proceeds from reduction of t-BuCl, PhCl, or HgCl2 by 2. Similarly, (C5Me4H)(3)U reacts with Phl or Hgl(2) to generate (C5Me4H)(3)Ul. These studies also provided a basis to improve the synthesis of (C5Me5)(3)UCl from 1 by employing t-BuCl or HgCl2 as the halide source. Like (C5Me5)(3)UCl, the (C5Me4H)(3)UCl Complex reacts with HgCl2 to form (C5Me4H)(2) and (C5Me4H)(2)UCl2, 6, but unlike (C5Me5)(3)UX (X = Cl or l), the less substituted (C5Me4H)(3)UX complexes do not reduce t-BuCl or PhX. The synthesis of 6 from (C5Me4H)MgCl-THF and UCl4 is also included.

  DOI：

  10.1021/ic0482685
• 作为产物：
  描述：

  (tetramethylcyclopentadienyl)₂UMe₂ 在 氢气 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以35 mg的产率得到(tetramethylcyclopentadienyl)3U
  参考文献：
  名称：

  锕系元素金属茂氢化物化学：CH活化的四甲基环戊二烯配体，以形成[μ-η 5 -C 5我3 H（CH 2） - κC ] 2-塔克悬停配体在Tetrathorium Octahydride复杂

  摘要：

  检查了二甲基act系金属茂（C 5 Me 4 SiMe 3）2 UMe 2和（C 5 Me 4 H）2 AnMe 2（An = Th，U）的氢解作用，以与（C 5 Me 5）2的氢解作用进行比较形成氢化物的AnMe 2 [（C 5 Me 5）2 ThH 2 ] 2，[（C 5 Me 5）2 UH 2 ] 2和[（C5 Me 5）2 UH] 2。与（C 5 Me 4 SiMe 3）-和（C 5 Me 4 H）-配合物未发现平行反应。相反，本研究导致了“折入结束”的第一个例子[μ-η 5 -C 5我3 H（CH 2） - κC ] -2-从（C衍生的二价阴离子5我4 1H）-配位体被C -H键活化以及多金属th多价化合物和有机金属Th的稀有例子3+复杂。（C 5我4森达3）2 UME 2分发生反应用H 2，以形成双（系留烷基）配合物（η 5 -C 5我4森达2 CH 2 - κC）2 U，CH

  DOI：

  10.1021/om4008482

文献信息

• Synthesis, Structure, and Magnetism of an f Element Nitrosyl Complex, (C₅Me₄H)₃UNO
  作者：Nathan A. Siladke、Katie R. Meihaus、Joseph W. Ziller、Ming Fang、Filipp Furche、Jeffrey R. Long、William J. Evans

  DOI：10.1021/ja2096128

  日期：2012.1.18

  (C5Me4H)(3)U, 1, reacts with 1 equiv of NO to form the first f element nitrosyl complex (C5Me4H)(3)UNO, 2. X-ray crystallography revealed a 180 degrees U-N-O bond angle, typical for (NO)(1+) complexes. However, 2 has a 1.231(5) angstrom N=O distance in the range for (NO)(1-) complexes and a short 2.013(4) angstrom U-N bond like the U=N bond of uranium imido complexes. Structural, spectroscopic, and magnetic data as well as DFT calculations suggest that reduction of NO by U3+ has occurred to form a U4+. complex of (NO)(1-) that has pi interactions between uranium 5f orbitals and NO pi* orbitals. These bonding interactions account for the linear geometry and short U-N bond. The complex displays temperature-independent paramagnetism with a magnetic moment of 1.36 mu(B) at room temperature. Complex 2 reacts with Al2Me6 to form the adduct (C5Me4H)(3)UNO(AlMe3), 3.

  (C5Me4H)3U，1，与1当量的NO反应形成第一个f元素硝酰配合物(C5Me4H)3UNO，2。X射线晶体学揭示了U-N-O键角为180度，这是典型的(NO)(1+)配合物特征。然而，2中的N=O距离为1.231(5)Å，位于(NO)(1-)配合物的范围内，并且U-N键长为2.013(4)Å，类似于铀酰亚胺配合物中的U=N键。结构、光谱和磁性数据以及DFT计算表明，NO已被U³+还原为U⁴+配合物的(NO)(1-)，其中铀的5f轨道与NO的π*轨道之间存在π相互作用。这些键合相互作用解释了线性几何和短U-N键。该配合物在室温下表现出温度独立的顺磁性，磁矩为1.36μB。复杂2与Al2Me6反应形成加成物(C5Me4H)3UNO(AlMe3)，3。
• Isolation of U(<scp>ii</scp>) compounds using strong donor ligands, C₅Me₄H and N(SiMe₃)₂, including a three-coordinate U(<scp>ii</scp>) complex
  作者：Austin J. Ryan、Mary A. Angadol、Joseph W. Ziller、William J. Evans

  DOI：10.1039/c8cc08767a

  日期：——

  New examples of uranium in the +2 oxidation state have been isolated by reduction of Cp^tet₃U (Cp^tet = C₅Me₄H) and U(NR₂)₃ (R = SiMe₃). Results show that more donating ligands as well as lower coordination number complexes are viable for U(ii) and suggest new targets for An(ii) complexes involving Np, Pu, and Am.

  新的铀+2氧化态的实例已经通过还原Cp3U（Cp = C5Me4H）和U（NR2）3（R = SiMe3）而被分离出来。结果显示，更多的供体配体以及较低的配位数复合物对于U（II）是可行的，并且提出了涉及Np、Pu和Am的An（II）复合物的新目标。
• Synthesis and Single Crystal X-ray Diffraction Study on the First Isolable Carbonyl Complex of an Actinide, (C5Me4H)3U(CO)
  作者：Julian Parry、Ernesto Carmona、Simon Coles、Michael Hursthouse

  DOI：10.1021/ja00114a030

  日期：1995.3

  metallocene (C[sub 5]Me[sub 4]H)[sub 3]U (2) provides an electronic and steric environment that enables the synthesis and structural characterization by X-ray methods of the first isolable carbonyl complex of an actinide element, (C[sub 5]Me[sub 4]H)U(CO). Results of our study has demonstrated that, under appropriate conditions and with a suitable choice of coligands, uranium carbonyl complexes can be isolated

  我们希望报告十二甲基茂金属 (C[sub 5]Me[sub 4]H)[sub 3]U (2) 提供了一个电子和空间环境，能够通过 X 射线方法进行合成和结构表征。锕系元素的可分离羰基络合物，(C[sub 5]Me[sub 4]H)U(CO)。我们的研究结果表明，在适当的条件下并选择合适的配体，可以分离铀羰基配合物。我们的结果质疑当前将锕系羰基化合物视为不稳定或不可分离的实体的观点。初步结果表明，2 中的富电子金属中心可能会产生相应丰富多样的化学反应，这是我们正在探索的领域。15 参考，1 图。
• A Monometallic f Element Complex of Dinitrogen:  (C₅Me₅)₃U(η-N₂)
  作者：William J. Evans、Stosh A. Kozimor、Joseph W. Ziller

  DOI：10.1021/ja037647e

  日期：2003.11.1

  The reactivities of (C5Me5)3U and (C5Me4H)3U were compared using both common (THF) and nontraditional (N2) ligands for f elements. THF coordinates the less-crowded (C5Me4H)3U to form (C5Me4H)3U(THF) while ring opening occurs with sterically crowded (C5Me5)3U. N2 at 80 psi reacts with (C5Me5)3U to form (C5Me5)3U(eta1-N2) [U-N(N2) = 2.492(10) A, nu(N2) = 2207 cm-1, and cnt-U-N2 = 90 degrees ], whereas only (C5Me4H)3U was isolated under 80 psi of N2.