One electron oxidation of triferrocenylmethanol: synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc3COH]+ PF6−

The title compound 2 was prepared and its crystal structure was determined at 100 K. The neat solid was examined by temperature dependent 57Fe Mossbauer effect (ME) spectroscopy over the interval 92 < T < 318 K, and evidences two diamagnetic Fe(II) sites and one paramagnetic Fe(III) site. The latter shows spin–lattice relaxation, but there is no evidence of electron delocalization among the three iron sites in the above temperature interval. The mean-square-amplitude-of-vibration of the diamagnetic iron site has been determined from the recoil-free fraction ME resonance, and compared to the neutral Fc3COH homologue (1). The ME dynamical data are in good agreement with the Ui,j value at 100 K extracted from the crystallographic results. The ME parameters at 5 K have also been determined with the sample compound embedded in a paraffin wax matrix as well as pelletized with BN.