| 209116-23-4

• CAS: 209116-23-4
• 化学式: C₆₀Ti
• 分子量: 768.54
• InChiKey: WXIVXZSQGFSECK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.73
• 重原子数：
  61.0
• 可旋转键数：
  0.0
• 环数：
  32.0
• 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

文献信息

• Beam deviation of large polar molecules in static electric fields: theory and experiment
  作者：Philippe Dugourd、Isabelle Compagnon、Franck Lepine、Rodolphe Antoine、Driss Rayane、Michel Broyer

  DOI：10.1016/s0009-2614(01)00145-2

  日期：2001.3

  A classical approach to calculate the energy and the orientation of symmetric top and linear molecules in high electric fields is proposed. This calculation is particularly well adapted to large molecules. It is used to simulate the deviation of a molecular beam in an inhomogeneous electric field. We give an example of experimental and calculated profiles of deviation for a transition metal-fullerene compound TiC60. This is the first direct measurement of the permanent dipole of a large rigid molecule in the gas phase. (C) 2001 Elsevier Science B.V. All rights reserved.