(methyl-13C)palladium | 129009-96-7

• 英文名称: (methyl-13C)palladium
• CAS: 129009-96-7
• 化学式: CH₃Pd
• 分子量: 122.444
• InChiKey: SVXCWJLNVYZJNM-YTBWXGASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  甲烷-13C 、 钯 生成 (methyl-13C)palladium
  参考文献：
  名称：

  Laser vaporization generation of PdCH₃, ¹⁰⁵PdCH₃, and Pd¹³CH₃ for electron spin resonance neon matrix study at 4 K

  摘要：

  The Pd12CH3, Pd13CH3, and 105Pd12CH3 radicals have been generated by reactive laser vaporization and isolated in neon matrices at 4 K for electron spin resonance (ESR) investigation. Apparently no previous monomethyl metal radical has been characterized by ESR despite the importance of such species as reactive intermediates. These results allow an experimental description of the electronic structure in the valence region to be obtained. A direct electronic structure comparison between PdH and PdCH3 is also presented. A significant amount of s/d hybridization on Pd is observed which agrees with earlier calculations on the bonding in Pd(CH3)2. The magnetic parameters (MHz) for PdCH3 in neon matrices are: g⊥=2.273(1); for 105Pd, A⊥=−946(2), A∥=−987(20); for H, ‖A‖=13(1); and for 13C, ‖A‖=10.2(4).

  DOI：

  10.1063/1.458326