trans,mer-bis(tricyclohexylphosphine)(N-methylpyrazinium)tricarbonylmolybdenum(0) hexafluorophosphate | 177035-13-1

• 英文名称: trans,mer-bis(tricyclohexylphosphine)(N-methylpyrazinium)tricarbonylmolybdenum(0) hexafluorophosphate
• CAS: 177035-13-1
• 化学式: C₄₄H₇₃MoN₂O₃P₂*F₆P
• 分子量: 980.927
• InChiKey: UUVXLQJYYABCQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  trans,mer-bis(tricyclohexylphosphine)(N-methylpyrazinium)tricarbonylmolybdenum(0) hexafluorophosphate 在 氢化钾 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  UV-vis, IR and EPR spectroelectrochemical study of the EC redox transition [(PR3)n(CO)3(R′-pz)M]+/0; M = Mo, W; R′-pz = N-alkylpyrazinium; R = isopropyl, cyclohexyl; n = 1 or 2

  摘要：

  The title complexes, isolated as trans,mer-configurated salts [(PR(3))(2)(CO)(3)(R'-pz)M](PF6), display a strong pi interaction between the zerovalent metal center and the excellent pi acceptor ligands R-pz(+). The solvatochromism of the long-wavelength metal-to-ligand charge transfer (MLCT) absorption as analyzed in particular for [(PCy(3))(2)(CO)(3)(CH3(CH2)(17)-pz)W](PF6) correlates not with established MLCT parameters but with the donor numbers of the solvents. The seemingly reversible one-electron oxidation and reduction processes were studied by spectroelectrochemical techniques with regard to EPR, carbonyl vibrational and UV-vis/NIR spectroscopic features. Whereas oxidation leads to labile M(I) species with 17 valence electrons, the reduction is centered at the R'-pz(+) ligand and causes a rapid reversible dissociation of one PR(3) group from the metal (EC(rev) process). Both EPR and IR data suggest pentacoordination at the 16 + delta valence electron centers in the neutral species [(PR(3)(CO)(3)(R'-pz)M](.).

  DOI：

  10.1016/0022-328x(95)05933-g
• 作为产物：
  描述：

  [Mo(PCy₃)₂(CO)₃] 、 N-methyl-pyrazinium hexafluorophosphate 以 甲苯 为溶剂， 以76%的产率得到trans,mer-bis(tricyclohexylphosphine)(N-methylpyrazinium)tricarbonylmolybdenum(0) hexafluorophosphate
  参考文献：
  名称：

  UV-vis, IR and EPR spectroelectrochemical study of the EC redox transition [(PR3)n(CO)3(R′-pz)M]+/0; M = Mo, W; R′-pz = N-alkylpyrazinium; R = isopropyl, cyclohexyl; n = 1 or 2

  摘要：

  The title complexes, isolated as trans,mer-configurated salts [(PR(3))(2)(CO)(3)(R'-pz)M](PF6), display a strong pi interaction between the zerovalent metal center and the excellent pi acceptor ligands R-pz(+). The solvatochromism of the long-wavelength metal-to-ligand charge transfer (MLCT) absorption as analyzed in particular for [(PCy(3))(2)(CO)(3)(CH3(CH2)(17)-pz)W](PF6) correlates not with established MLCT parameters but with the donor numbers of the solvents. The seemingly reversible one-electron oxidation and reduction processes were studied by spectroelectrochemical techniques with regard to EPR, carbonyl vibrational and UV-vis/NIR spectroscopic features. Whereas oxidation leads to labile M(I) species with 17 valence electrons, the reduction is centered at the R'-pz(+) ligand and causes a rapid reversible dissociation of one PR(3) group from the metal (EC(rev) process). Both EPR and IR data suggest pentacoordination at the 16 + delta valence electron centers in the neutral species [(PR(3)(CO)(3)(R'-pz)M](.).

  DOI：

  10.1016/0022-328x(95)05933-g