copper(II) fluoride hydride | 1004756-23-3

• 分子结构分类: 无机化合物 - 均质非金属化合物
• 英文名称: copper(II) fluoride hydride
• CAS: 1004756-23-3
• 化学式: CuFH
• 分子量: 83.5523
• InChiKey: JCPFFQIZYKMART-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.15
• 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：
  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：

  氢氟酸 、 铜 生成 copper(II) fluoride hydride
  参考文献：
  名称：

  Rare gas matrix ESR investigations of ¹²CH₃ ^63,65CuF, ¹³CH₃ ^63,65CuF, H^63,65CuF, and D^63,65CuF generated by reactive laser vaporization

  摘要：

  A new experimental procedure for conducting reactive laser vaporizations is described and applied to the generation of the previously unreported copper radicals, 13CH3CuF, 12CH3CuF, HCuF, and DCuF, for rare gas matrix ESR investigations. Laser vaporization was conducted on a thin film of reactant condensed on the copper metal surface. The g and A tensors for these are compared with other small copper radicals in order to determine electronic structure and bonding trends. The neon magnetic parameters (MHz) for 13CH363CuF are: g∥ =1.965(1), g⊥ =2.3626(3); A∥(63Cu) =3076(2), A⊥(63Cu) =2993(1); A∥(19F) =94(1), A⊥(19F) =68(1); A∥(13C) =19(1), A⊥(13C) <3. The H quartet hfs for CH3CuF was resolved on the perpendicular transitions, having an A value of 9.3(3) MHz. For H63CuF, the neon results (MHz) are: g∥ =1.975(1); g⊥ =2.4075(4); A∥(63Cu) =2826(3), A⊥(63Cu) =2717(1); A∥(19F) =127(2), A⊥(19F) =94(1); A∥(H) =61(3), and A⊥(H) =29(1) MHz.

  DOI：

  10.1063/1.454179