titanium(2+);chloride | 21879-29-8

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: titanium(2+);chloride
• CAS: 21879-29-8
• 化学式: ClTi
• 分子量: 83.333
• InChiKey: ZNFNVLRXFXNGOK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• 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：

  四氯化钛 以 gaseous matrix 为溶剂， 生成 titanium(2+);chloride
  参考文献：
  名称：

  A spectrum of TiCl+ in the yellow-green

  摘要：

  DOI：

  10.1016/0022-2852(90)90062-u

文献信息

• A spectrum of TiCl+ in the yellow-green
  作者：Walter J. Balfour、K.S. Chandrasekhar

  DOI：10.1016/0022-2852(90)90062-u

  日期：1990.2
• Laser velocity modulation spectroscopy of TiCl+: Observation of the A 3Δ(3d2) state and deperturbation of the X 3Φ−A 3Δ complex
  作者：C. Focsa、B. Pinchemel、J.-L. Féménias、T. R. Huet

  DOI：10.1063/1.475313

  日期：1997.12.22

  A single mode cw dye laser along with velocity modulation was used to record weak bands of TiCl+ in the spectral region 17 100–18 600 cm−1. The ions were produced in the positive column of an ac glow discharge with a gas mixture of He/TiCl4. These new bands have been identified as linking the upper already known [17.8]3Δ(3d4s) state to respectively the X 3Φ(v=1) state and to a newly observed A 3Δ(v=0) state located 350 cm−1 above the X 3Φ(v=0) state. As suggested by Focsa et al. (J. Chem. Phys. 106, 9044 (1997)) the A 3Δ(3d2) state was found to be responsible for the perturbations observed in the X 3Φ(3d2) state. The spin-orbit components of the A 3Δ(v=0) and the X 3Φ(v=1) states revealed interaction leading to homogeneous and heterogeneous perturbations. A set of deperturbed parameters has been determined with the help of a full matrix-based handling of the A 3Δ(v=0) and the X 3Φ(v=0,1) states. Study of the contributions of the basis functions to the eigenvectors of the diagonalized matrix displayed evidence of a reversal of the leading character of the Ω=3 spin-orbit components of the A 3Δ(v=0) and the X 3Φ(v=1) states. A remarkable example of avoided crossing has been observed between the A 3Δ1(v=0) and the X 3Φ2(v=1) spin-orbit components.