(NiCp).infin.

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: (NiCp).infin.
• 英文别名: NiCp
• 化学式: C₅H₅Ni
• 分子量: 123.785
• InChiKey: BOLFPTURUBFEGF-UHFFFAOYSA-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

• 作为产物：
  描述：

  cyclopentadienylnitrosylnickel(I) 以 neat (no solvent) 为溶剂， 生成 氧化亚氮 、 (NiCp).infin.
  参考文献：
  名称：

  Nitric oxide photofragment rotational distribution from UV dissociation of cyclopentadienylnickel nitrosyl

  摘要：

  The rotational state distribution for NO produced by dissociation of (η5–C5H5)NiNO near 225 nm has been obtained by [1+1] resonance-enhanced multiphoton ionization. The distribution is approximately characterized by a Boltzmann distribution at T=900±200 K. The relative populations of the two spin–orbit components of the ground 2Π manifold are also consistent with this temperature. No preference is observed for populating either of the lambda–doublet components, even at high rotational quantum numbers. Comparison of the results with statistical models shows that the state distribution is significantly colder than expected. One plausible explanation for this is that the parent molecule dissociates to produce cyclopentadienylnickel fragments in an excited electronic state.

  DOI：

  10.1063/1.454305

文献信息

• Investigation of Nickelocene Decomposition during Chemical Vapor Deposition of Nickel
  作者：Laurent Brissonneau、Riadh Sahnoun、Claude Mijoule、Constantin Vahlas

  DOI：10.1149/1.1393375

  日期：——

  functional theory of bond dissociation energies of the metal‐ligand bonds, thermodynamic investigation of the stability of intermediate species, and experimental investigation of the composition of the gas phase by on‐line mass spectrometry have been performed in order to study the growth mechanisms and the carbon incorporation in nickel films during metallorganic chemical vapor deposition (MOCVD) of

  已经进行了金属-配体键的键解离能的密度泛函理论、中间物种稳定性的热力学研究以及通过在线质谱法对气相组成的实验研究，以研究生长机制和在来自二茂镍的金属有机化学气相沉积 (MOCVD) 过程中，镍膜中的碳掺入。提出了一种模型，根据该模型，二茂镍分子被吸附在表面上。环戊二烯是由相邻分子的两个环戊二烯基配体之间的反应形成的，而缺氢环作为起始物质，通过随后的脱氢将碳掺入薄膜中。可用的氢原子与镍环戊二烯基反应形成氢化中间体，这些中间体从表面解吸。该模型与文献中关于分解过程不同步骤的数据兼容。© 2000 电化学学会。版权所有。