[bis(triphenylphosphoranylidene)ammonium][Mo(C6F5)(CO)5] | 291775-71-8

• 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: [bis(triphenylphosphoranylidene)ammonium][Mo(C6F5)(CO)5]
• 英文别名: bis(triphenylphosphoranylidene)ammonium[Mo(pentafluorophenyl))CO)5]；bis(triphenyl-λ5-phosphanylidene)azanium;carbon monoxide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
• CAS: 291775-71-8
• 化学式: C₁₁F₅MoO₅*C₃₆H₃₀NP₂
• 分子量: 941.638
• InChiKey: VGAQDZDGWJFDCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  6
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  ferrocenium(III) tetrafluoroborate 、 [bis(triphenylphosphoranylidene)ammonium][Mo(C6F5)(CO)5] 、 三苯基膦 在 水 作用下， 以 氘代氯仿 为溶剂， 生成 triphenylphosphinemolybdenumpentacarbonyl
  参考文献：
  名称：

  Oxidatively induced one-electron reductive elimination of pentafluorophenyl from [Mo(C6F5)(CO)5]−

  摘要：

  The anionic molybdenum(0) complex [MO(C6F5)(CO)(5)](-) displays a one-electron oxidation by cyclic voltammetry that is only partially chemically reversible. The partial chemical reversibility is caused by a slow chemical reaction following oxidation. This reaction has been shown to be cleavage of the Mo-C6F5 bond in a one-electron reductive elimination process. Chemical oxidation by ferrocenium in the presence of nucleophiles yields known MO(CO)(5) L (L = Py, PPh3) complexes, while oxidation with tropylium traps the C6F5 radical as C7H7C6F5. NMR and mass spectrometry were used to identify the oxidation products. Simulated cyclic voltammograms have been used to estimate the rate constant for cleavage of the MO-C6F5 bond in the presence of pyridine as approximately 700 M-1 s(-1). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.02.022
• 作为产物：
  描述：

  bis(triphenylphosphoranylidene)ammonium chloropentacarbonylmolybdate 、 pentafluorophenylsilver 以 乙醚 为溶剂， 以47%的产率得到[bis(triphenylphosphoranylidene)ammonium][Mo(C6F5)(CO)5]
  参考文献：
  名称：

  A new route to pentafluorophenylmolybdenum(0) carbonyl complexes. Synthesis and X-ray crystal structure of PPN[Mo(C6F5)(CO)5]

  摘要：

  In order to facilitate studies of the synthesis and reactivity of pentafluorophenylmolybdenum(0) carbonyl complexes, an efficient synthetic route to the pentacarbonyl complex, [Mo(C(6)F(5))(CO)(5)](-), has been sought. It has now been shown that the known organometallic compounds AgC(6)F(5) and PPN[MoCl(CO)(5)] [PPN = bis(triphenylphosphoranylidene)ammonium] react to give PPN[Mo(C(6)F(5))(CO)(5)] in high purity and good yield. This compound has been characterized by IR, NMR, elemental analysis, and X-ray crystallography. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00094-3