bis(η-cyclopentadienyl)diisocyanato-titanium(IV)

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: bis(η-cyclopentadienyl)diisocyanato-titanium(IV)
• 英文别名: bis(η5-cyclopentadienyl)titanium diisocyanate
• 化学式: C₁₂H₁₀N₂O₂Ti
• 分子量: 262.104
• InChiKey: VEBGQZVNQQHNSU-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：

  bis(η-cyclopentadienyl)diisocyanato-titanium(IV) 生成 9,10-dihydrofulvalene 、 环戊二烯
  参考文献：
  名称：

  Brown, Gilbert M., Inorganic Chemistry, 1989, vol. 28, # 15, p. 3028 - 3032

  摘要：

  DOI：
• 作为产物：
  描述：

  在 一氧化碳 作用下， 以 further solvent(s) 为溶剂， 生成 bis(η-cyclopentadienyl)diisocyanato-titanium(IV)
  参考文献：
  名称：

  Photochemistry of Cp2Ti(CO)2 and Cp2Ti(N3)2 in solid matrices and in solution at low temperatures

  摘要：

  Photolysis of CP2Ti(CO)2 in various solid matrices (Ar, CH4, CO, 2-MeTHF) at temperatures below 120 K generated (the previously unknown) Cp2TiCO. The 16-valence electron species was characterized by IR spectroscopy and the back-reaction with CO was studied. The CO stretching frequency of the product was shown to depend on the donor strength of the matrix material used. CP2Ti(N3)2 was photolysed in a CO-doped Ar matrix at 12 K. Four photoproducts (Cp2TiCO, CP2Ti(CO)2, CP2Ti(NCO)2, Cp2Ti(N2)2) were identified by IR spectroscopy. A plausible mechanism for the photodecomposition of CP2Ti(N3)2 via CP2Ti(N)(N3) and CP2Ti is suggested. The reaction with CO was also monitored in liquid xenon (LXe) at 243 K and in toluene at room temperature under CO pressure; Cp2Ti(NCO)2 was produced in both cases.

  DOI：

  10.1016/0022-328x(93)83057-3

文献信息

• Synthesis and properties of isocyanate and isothiocyanate d1- and d2-complexes of vanadocene
  作者：G.A. Razuvaec、A.S. Gordetsov、V.N. Latyaeva、S.V. Zimina、S.E. Skobeleva、N.P. Makarenko、V.K. Cherkasov、V.P. Mar'in、Yu.I. Dergunov

  DOI：10.1016/0022-328x(87)80067-0

  日期：1987.8
• Avar, G.; Ruesseler, W.; Kisch, H., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 11, p. 1441 - 1446
  作者：Avar, G.、Ruesseler, W.、Kisch, H.

  DOI：——

  日期：——
• Synthesis and some properties of vanadocene isocyanate and isothiocyanate d1-complexes
  作者：A. S. Gordetsov、S. V. Zimina、S. E. Skobeleva、N. P. Makarenko、V. K. Cherkasov、V. P. Mar'in、T. N. Konkina、Yu. I. Dergunov

  DOI：10.1007/bf00965383

  日期：1988.3
• Gordetsov, A. S.; Noskov, N. M.; Zimina, S. V., Journal of applied chemistry of the USSR, 1988, vol. 61, p. 1748 - 1750
  作者：Gordetsov, A. S.、Noskov, N. M.、Zimina, S. V.、Pereshein, V. V.

  DOI：——

  日期：——
• Plenio, Herbert; Roesky, Herbert W., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 1, p. 94 - 95
  作者：Plenio, Herbert、Roesky, Herbert W.

  DOI：——

  日期：——