perdeuterated triphenyl bismuthine | 174147-25-2

• 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: perdeuterated triphenyl bismuthine
• CAS: 174147-25-2
• 化学式: C₁₈H₁₅Bi
• 分子量: 455.178
• InChiKey: ZHXAZZQXWJJBHA-UUNNAFBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• 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：

  氯化铋 、 Phenyl-d5-magnesium bromide 以65%的产率得到perdeuterated triphenyl bismuthine
  参考文献：
  名称：

  Fourier transform Raman and infrared spectra and normal coordinate analysis of (C6H5)3Bi and (C6D5)3Bi

  摘要：

  The FT Raman and infrared spectra of triphenylbismuth (C6H5)(3)Bi and the perdeuterated molecule (C6D5)(3)Bi have been measured in the range 3600-100 cm(-1). A normal coordinate analysis has been performed for both substances using a modified valence force field. This leads to a complete assignment of all 96 vibrations of each of the two compounds. The complete molecule with 34 atoms and C-1 symmetry is calculated for the first time. Out-of-plane and in-plane vibrations are computed together in one step. For the perdeuterated isotopomer H-2 NMR, C-13 NMR and MS data are also given.

  DOI：

  10.1016/0584-8539(95)01471-1

文献信息

• Fourier-transform Raman and infrared spectra and normal coordinate analysis of the triphenyl compounds and their methyl-, methoxy- and fluoro-substituted derivatives of arsenic, antimony and bismuth
  作者：C. Ludwig、M. Dolny、H.-J. Götze

  DOI：10.1016/s1386-1425(97)00176-5

  日期：1997.11

  The Fourier transform (FT)-Raman and infrared (IR) spectra of triphenyl-, perdeuterated triphenyl-, tris(2-methylphenyl)-, tris(3-methylphenyl)-, tris(2,4, 6-trimethylphenyl)-, tris(2-methoxyphenyl)-, tris(3 -methoxyphenyl)-, tris(3-fluorophenyl)- and tris(4-fluorophenyl)-arsine, -stibine and -bismuthine were measured in the range 3600-100 cm(-1). A normal coordinate analysis was performed for all substances using a modified valence force field. This leads to an unique force field for these compounds, where only the metal depending force constants vary noticeably. It was also possible to find a relationship between the chemical nature and the position of the different substituent and the metal-carbon stretching force constant. For all substances H-1-NMR,C-13-NMR and MS data were also given. (C) 1997 Elsevier Science B.V.