| 31894-85-6

• CAS: 31894-85-6
• 化学式: F₄MoO
• 分子量: 187.933
• InChiKey: JISDVLYKFMCUNE-UHFFFAOYSA-J

反应信息

• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 、
  参考文献：
  名称：

  Single-crystal electron paramagnetic resonance investigation of γ-irradiated K₂[MoO(O₂)F₄]·H₂O and molybdenum-doped K₂[Nb(O₂)F₅]·H₂O

  摘要：

  The single-crystal EPR spectra of gamma-irradiated pure K2[MoO(O2)F4].H2O and molybdenum-doped K2[Nb(O2)F5].H2O, each giving rise to a set of resonances both at low and high fields relative to that of the free-electron g value, have been investigated. The high-field lines are similar for both complexes and are attributed to an electron-excess species [MoOF4]-, formed from [MoO(O2)F4]2- by radiation damage followed by rearrangement due to the extra electron. The EPR parameters for this radical are g parallel-to = 1.932(1), g perpendicular-to = 1.896(1), A parallel-to (F-19) = 0.80(5) and A perpendicular-to (F-19) = 4.65(5) mT. The low-field lines of the Mo-doped niobium compound are due to a niobium hole species, [Nb(O2)F5]-, having the unpaired electron occupying the non-bonding orbital of the peroxo oxygen atoms. However, the low-field lines of the pure molybdenum complex are due to a hole species, [Mo(O2)F4]+, having spin-Hamiltonian parameters g(xx) = 2.037(1), g(yy) = 1.999(1), g(zz) = 2.011(1), A(xx)(F-19) = 1.81(5), A(yy)(F-19) = 0.70(5) and A(zz)(F-19) = 2.81(5) mT. Further support for the assumed species comes from extended Huckel molecular orbital calculations. The crystal structure of the pure molybdenum complex was redetermined.

  DOI：

  10.1039/dt9910003185