octamethylferrocenium tetrafluoroborate | 853073-77-5

• 英文名称: octamethylferrocenium tetrafluoroborate
• 英文别名: OMFc(+)BF4(-)
• CAS: 853073-77-5
• 化学式: BF₄*C₁₈H₂₆Fe
• 分子量: 386.209
• InChiKey: WPNGRRPISDSLSV-SGNQUONSSA-N

反应信息

• 作为产物：
  描述：

  tetrafluoroboric acid 、 octamethylferrocene 以 水 为溶剂， 生成 octamethylferrocenium tetrafluoroborate
  参考文献：
  名称：

  ⁵⁷Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin−Lattice Relaxation by Moessbauer Spectroscopy

  摘要：

  X-ray structure determinations of two different single crystals of octamethylferrocenium tetrafluoroborate (OMFc(+)BF4(-)) revealed conformational polymorphism with ligand twist angles of 180 degrees and 108 degrees, respectively. Their concomitant occurrence could be explained by the small lattice energy difference of 3.2 kJ mol(-1). Temperature-dependent Moessbauer spectroscopy of Fe-57-labeled OMFc(+)BF(4)(-) over the range 90 < T < 370 K did not show the anomalous sudden increase in the motion of the metal atom as observed in neutral OMFc. Broadened absorption curves characteristic of relaxation spectra were obtained with an isomer shift of 0.466(6) mm s(-1) at 90 K. The temperature dependence of the isomer shift corresponded to an effective vibrating mass of 79 +/- 10 Da and, in conjunction with the temperature dependence of the recoil-free fraction, to a Moessbauer lattice temperature of 89 K. The spin relaxation rate could be better oescribed by an Orbach rather than a Raman process. At 400 K, a reversible solid-solid transition to a plastic crystalline mesophase was noted.

  DOI：

  10.1021/ja050452h