[Co(η6-benzene)] | 65858-12-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Co(η6-benzene)]
• 英文别名: Co(benzene)；η6-Co(C6H6)；CoBz；Benzene;cobalt
• CAS: 65858-12-0
• 化学式: C₆H₆Co
• 分子量: 137.107
• InChiKey: PETBIVLJWNFKQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  钴 在 苯 作用下， 以 苯 为溶剂， 生成 [Co(η6-benzene)]
  参考文献：
  名称：

  Infrared spectra of arene matrices containing some atomic metals

  摘要：

  DOI：

  10.1016/0584-8539(84)80113-0

文献信息

• Electronic Properties of Organometallic Metal−Benzene Complexes [M<i>_n</i>(benzene)<i>_m</i> (M = Sc−Cu)]
  作者：Tsuyoshi Kurikawa、Hiroaki Takeda、Masaaki Hirano、Ken Judai、Tadashi Arita、Satoshi Nagao、Atsushi Nakajima、Koji Kaya

  DOI：10.1021/om9807349

  日期：1999.4.1

  Neutral metal−benzene complexes, Mn(benzene)m (M = Sc to Cu), are produced for all of the 3d transition metals in the gas phase by using the laser vaporization method. These species are characterized by mass spectrometry, photoionization spectroscopy, and chemical probe experiments. Depending on the metal, there are two types of structures for Mn(benzene)m:  multiple-decker sandwich structures and

  通过使用激光汽化方法，为气相中的所有3d过渡金属生成了中性金属-苯络合物M n（苯）m（M = Sc至Cu）。这些物质的特征在于质谱，光电离光谱和化学探针实验。取决于金属，M n（苯）m有两种类型的结构：多层夹心结构和完全覆盖有苯分子的金属团簇（米饭球结构）。前者的夹心结构是早期过渡金属（Sc-V）配合物的特征，而后者是后过渡金属（Fe-Ni）的形成。M 1（苯）x（x = 1，2）通过系统测量电离能（E i 's）来研究络合物。
• Structures and its dipole moments of half-sandwich type metal–benzene (1:1) complexes determined by 2-m long electrostatic hexapole
  作者：Kohei Imura、Hiroshi Ohoyama、Toshio Kasai

  DOI：10.1016/j.chemphys.2004.02.016

  日期：2004.6

  The transition metal-benzene (1:1) complexes are synthesized by laser evaporation method followed by the size and structure selection with 2-m long electrostatic hexapole field. Electric dipole moments of half-sandwich type binary complexes for a series of the transition metals, i.e. Ti, V, Co, and Ni, with benzene molecule were determined by measuring the focusing curves, namely the dependence of the focused beam intensity upon the hexapole field strength. It is found that the dipole moments of Ti-C6H6 and V-C6H6 are larger than the ones of Co-C6H6 and Ni-C6H6. Such large dipole moments of Ti-C6H6 and V-C6H6 can be ascribed to the strong orbital interaction due to charge transfer between the metal atom and benzene molecule. (C) 2004 Elsevier B.V. All rights reserved.
• Reaction of transition metal vapors with an arene matrix at liquid nitrogen temperature [1a]
  作者：H.F. Efner、W.B. Fox、R.R. Smardzewski、D.E. Tevault

  DOI：10.1016/s0020-1693(00)93840-4

  日期：1977.1
• Infrared spectra of arene matrices containing some atomic metals
  作者：A.L. Shobert、I.C. Hisatsune、P.S. Skell

  DOI：10.1016/0584-8539(84)80113-0

  日期：1984.1