TMSCp2TaH3 | 85421-39-2

• 英文名称: TMSCp2TaH3
• CAS: 85421-39-2
• 化学式: C₁₆H₂₉Si₂Ta
• 分子量: 458.525
• InChiKey: DELWCHFPLKAROG-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：

  TMSCp2TaH3 在 四氯化碳 作用下， 以 氯仿 为溶剂， 以>99的产率得到
  参考文献：
  名称：

  Leblanc, Jean-Claude; Reynoud, Jean-Francois; Moise, Claude, Comptes Rendus de l'Academie des Sciences - Serie II

  摘要：

  DOI：
• 作为产物：
  描述：

  、 红铝 以 甲苯 为溶剂， 生成 TMSCp2TaH3
  参考文献：
  名称：

  Bonding interactions between three adjacent hydrogen ligands. Preparation and spectroscopic properties of the tantalum and niobium complexes [Ta(H)₃(C₅H_5–nR_n)₂](R = SiMe₃, n= 1 or 2) and [Nb(H₃)(C₅H_5–nR_n)₂](n= 1, R = Me or SiMe₃; n= 2, R = SiMe₃)

  摘要：

  钽的新标题配合物是真正的氢化物，而铌配合物的三个氢原子之间存在成键相互作用，这一点可以从较短的 n.m.r. T1 值和不寻常的耦合 1J(H,H) 得到证明，耦合 1J(H,H) 随温度的变化从小于 3 Hz 到大约 100 Hz 不等。

  DOI：

  10.1039/c39880001210

文献信息

• Chemical vapor deposition precursors for deposition of tantalum-based materials
  申请人：Advanced Technology Materials, Inc.

  公开号：US06989457B2

  公开（公告）日：2006-01-24

  Tantalum precursors suitable for chemical vapor deposition of tantalum-containing material, e.g., tantalum, TaN, TaSiN, etc., on substrates. The tantalum precursors are substituted cyclopentadienyl tantalum compounds. In one aspect of the invention, such compounds are silylated to constitute tantalum/silicon source reagents. The precursors of the invention are advantageously employed in semiconductor manufacturing applications to form diffusion barriers in connection with copper metallization of the semiconductor device structure.

  适用于在基板上进行化学气相沉积的钽前体，例如钽、TaN、TaSiN等含钽材料。这些钽前体是取代的环戊二烯基钽化合物。在发明的一个方面，这些化合物被硅化以构成钽/硅源试剂。该发明的前体在半导体制造应用中得到有利地应用，用于在半导体器件结构的铜金属化过程中形成扩散屏障。
• Exchange Coupling in Niobocene Trihydrides, Nb(C₅H₃RR‘)₂H₃, and Their Adducts with Copper Triad Cations, [{Nb(C₅H₃RR‘)₂H₃}₂M]⁺ (R = R‘ = H; R = H, R‘= SiMe₃; R = R‘ = SiMe₃; M = Cu, Ag, Au)
  作者：Antonio Antiñolo、Fernando Carrillo-Hermosilla、Bruno Chaudret、Mariano Fajardo、Juan Fernández-Baeza、Maurizio Lanfranchi、Hans-Heinrich Limbach、Markus Maurer、Antonio Otero、Maria Angela Pellinghelli

  DOI：10.1021/ic960582e

  日期：1996.1.1

  The reactions of Nb(C(5)H(3)RR')(2)Cl-2 with Red-Al followed by hydrolysis yield Nb(C(5)H(3)RR')(2)H-3 (R = R' = H, 1; R = H, R' = SiMe(3), 2; R = R' = SiMe(3), 3). These compounds react with Lewis acidic coinage cationic species, namely, [Cu(MeCN)(4)]PF6, AgBF4, and ''Au(THT)PF6'', prepared in situ from AuCl(THT) and TIPF6 in a 2 to 1 ratio to yield the adducts [Nb(C(5)H(3)RR')(2)H-3}(2)M](+) (M = Cu, R = R' = H, 7; R = H, R' = SiMe(3), 8; R = R' = SiMe(3), 9; M = Ag, R = H, R' = SiMe(3), 10; R = R' = SiMe(3), 11; M = Au, R = R' = H, 12; R = H, R' = SiMe(3), 13; R = R' = SiMe(3), 14). Like 1, but unlike the corresponding tantalum derivatives Ta(C(5)H(3)RR')(2)H-3 (R = R' = H, 4; R = H, R' = SiMe(3), 5; R = R' = SiMe(3), 6), 2 and 3 show exchange couplings in their high-field H-1 NMR spectra due to a hydride tunneling phenomenon. The magnitudes of exchange couplings are larger in the cases of 2 and 3 than in the case of 1 as a result of the decrease of electron density upon increasing the number of SiMe(3) substituents on the Cp ring. The addition of a Lewis acidic cation results in the observation of an AB(2) pattern for the hydrides at room temperature, which splits at low temperature into an ABC one in agreement with a fluxional behavior of the cation which binds to two hydrides of each niobium center. The activation energy of these fluxional processes are close to 42-45 kJ . mol(-1) in the case of Cu adducts, 37 kJ . mol(-1) in the case of Ag adducts, and 40 kJ . mol(-1) in the case of Au adducts. The magnitude of exchange couplings is reduced upon addition of copper cation to 1-3, is of the same order of magnitude after addition of a silver cation, and is greatly increased by addition of a gold cation. A model is proposed to explain these variations which involves two isomeric states that are close in energy, one involving two bridging and one terminal hydrides on niobium and one involving one bridging hydride and a dihydrogen molecule. A line shape analysis experiment carried out on 14 allows determination of the parameters of the classical exchange, the coupling constants at various temperatures which reach 550 Hz at 347 K, and the parameters of the quantum mechanical exchange according to our proposed model. The structure of 14 has been studied by X-ray diffraction. The structure has been Solved from diffractometer data by Patterson method and refined by blocked full-matrix least squares on the basis of 3082 observed reflections to R and R(w) values of 0.0346 and 0.0381, respectively. The structure shows the presence of two bridging hydrides between the niobium and gold atoms; one of them is found close to the terminal hydride.