thallium(I) pentadeuterocyclopentadienide | 64055-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: thallium(I) pentadeuterocyclopentadienide
• CAS: 64055-35-2
• 化学式: C₅H₅*Tl
• 分子量: 274.438
• InChiKey: CVEQRUADOXXBRI-GWVWGMRQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  五羰基溴铼(I) 、 thallium(I) pentadeuterocyclopentadienide 以 苯 为溶剂， 以87%的产率得到(η5-C5D5)Re(CO)3
  参考文献：
  名称：

  Deprotonation and anionic rearrangements of organometallic compounds. 5. Kinetic vs. thermodynamic deprotonation in reactions of cyclopentadienylrhenium acyl and alkyl complexes with strong bases

  摘要：

  DOI：

  10.1021/ja00266a012
• 作为产物：
  描述：

  thallium chloride 、 重水 、 环戊二烯 在 sodium 作用下， 以 neat (no solvent) 为溶剂， 以86%的产率得到thallium(I) pentadeuterocyclopentadienide
  参考文献：
  名称：

  上η光化学研究5 -环戊二烯基（三苯基膦）nickelalkyl和-芳基化合物

  摘要：

  一系列所述类型的有机镍配合物的光诱导降解研究（η 5 -C 5 H ^ 5）（PPH 3）的Ni（R）（R = CH 3，C 2 H ^ 5，C 6 H ^ 5和C 6 ħ 4 CH 3 - p）以及某些氘代类似物已被采用。苯和苯-d 6中甲基化合物的光解产生甲烷作为主要气体产物，光生甲基从环戊二烯基环，溶剂或另一个甲基中提取氢。乙基化合物的光诱导脱烷基化同时生成乙烯和乙烷，这可以通过消除β-氢化物，然后使氢化中间体与其他乙基化合物反应来解释。苯和对甲苯基络合物在苯溶液中的光解会导致联芳基的形成，这是由于两个配位的芳基的偶合以及与溶剂的相互作用。三苯膦是所有这些光分解研究的产物。

  DOI：

  10.1016/s0022-328x(00)88575-7

文献信息

• Carbenerhodium(I) complexes of the half-sandwich-type: reactions with electrophiles
  作者：Elke Bleuel、Peter Schwab、Matthias Laubender、Helmut Werner

  DOI：10.1039/b008354m

  日期：——

  intermediate. The triphenylphosphine complex [η5-C5H4(CHPh2)}RhCl2(PPh3)] 7f was prepared analogously from 5c and two equiv. of HCl. The reactions of 5a and 5d (R = Ph, L = SbPri3) with either HBF4, [Me3O]BF4 or methyl triflate give via attack of the electrophile on the carbene carbon atom and subsequent σ/π rearrangement cationic η3-benzylrhodium(III) complexes 9 and 10a–c in good to excellent yields

  所述carbenerhodium的反应（我）配合物[（η 5 -C 5 H ^ 5）的Rh（CR 2）（L）]（R = 芳基）（以HX（X = Cl，CF 3 CO 2）为主导），具体取决于配体L，要两种不同类型的产品。而化合物1，2与R = P h和L = CO或PME 3与HX进行反应，得到铑（III）烷基[（η 5 -C 5 H ^ 5）RHX（CHPh配合2）（L）] 3，4A，4B中，类似物图5a和5b中，其中R = PH，p -Tol和L = PPR我3得到处理后与HX（X =氯，溴，I，CF 3 CO 2）的环-取代的产物[η 5 -C 5高4（CHR 2）} RhHX（PPr i 3）] 6a–e。在过量HX的存在，后者被转化成卤代或二（trifluoroacetato）衍生物[η 5 -C 5 H ^ 4（CHR 2）} RHX 2（PPR我3）]器7a-e 。一种贴标试验使用[（η
• Vibrational Study of Organometallic Complexes with Thiophene Ligands:  Models for Adsorbed Thiophene on Hydrodesulfurization Catalysts
  作者：Patrick Mills、Scott Korlann、Mark E. Bussell、Michael A. Reynolds、Maxim V. Ovchinnikov、Robert J. Angelici、Christoph Stinner、Thomas Weber、Roel Prins

  DOI：10.1021/jp010258r

  日期：2001.5.1

  Interpretation and comparison of the vibrational spectra of organometallic complexes containing thiophene ligands with IR spectra of adsorbed thiophene on sulfided Mo/Al2O3 catalysts have permitted a definitive assignment of the adsorption mode of the surface-bonded thiophene. Infrared and Raman spectra were acquired for three organometallic complexes: (eta (5)-C5D5)Re(CO)(2)(eta (1)(S)-C4H4S), (eta (5)-C4H4S)Cr(CO)(3), and [(eta (5)-C4H4S)Mn(CO)(3)]BF4. The vibrational properties of eta (1)(S)- and eta (5)-coordinated thiophene were further investigated through normal-mode analyses of the IR spectra of thiophene coordinated in (eta (5)-C4H4S)Cr(CO)(3) and (eta 5-C5D5)Re(CO)(2)(eta (1)(S)-C4H4S). Perturbations among the force constants of a gas-phase thiophene model, consistent with the structure of eta (1)(S)- and eta (5)-coordinated thiophene ligands, gave rise to respective thiophene force fields that allowed for the accurate determination of the IR spectra of thiophene coordinated in the Cr and Re complexes. Spectral shifts observed for the IR spectrum of the eta (1)(S)-coordinated thiophene ligand, with respect to the IR spectrum of free thiophene, are similar to those observed for analogous bands of thiophene adsorbed at the surface of sulfided Mo/Al2O3 catalysts. Furthermore, perturbations among the force constants of (S)-coordinated thiophene, necessary to model such shifts, indicate that the hydrocarbon backbone of thiophene is strengthened upon eta (1)(S) adsorption, whereas the C-S bonds are significantly weakened. These bonding changes, along with the assignment of the adsorption mode of thiophene, suggest an HDS mechanism in which the initial steps are eta (1)(S) adsorption of thiophene followed by subsequent cleavage of one of the C-S bonds.
• Mancini, Mary; Bougeard, Peter; Burns, Robert C., Inorganic Chemistry, 1984, vol. 23, # 8, p. 1072 - 1078
  作者：Mancini, Mary、Bougeard, Peter、Burns, Robert C.、Mlekuz, Michael、Sayer, Brian G.、Thompson, J. Ian A.、McGlinchey, Michael J.

  DOI：——

  日期：——
• Organolanthanoids. XIII. Bis(pentadeuterocyclopentadienyl)ytterbium(II)
  作者：G.B. Deacon、D.L. Wilkinson、R.L. Davis

  DOI：10.1016/s0020-1693(00)81579-0

  日期：1988.2