One electron oxidation of triferrocenylmethanol: Synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc 3COH]+ PF6-

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  • Technische Universität Braunschweig
  • Hebrew University of Jerusalem (HUJI)
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Original languageEnglish
Pages (from-to)3671-3676
Number of pages6
JournalDalton Transactions
Volume40
Issue number14
Publication statusPublished - 2 Mar 2011

Abstract

The title compound 2 was prepared and its crystal structure was determined at 100 K. The neat solid was examined by temperature dependent 57Fe Mössbauer 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.

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One electron oxidation of triferrocenylmethanol: Synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc 3COH]+ PF6-. / Butenschön, Holger; Ma, Jingxiang; Daniliuc, Constantin G. et al.
In: Dalton Transactions, Vol. 40, No. 14, 02.03.2011, p. 3671-3676.

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abstract = "The title compound 2 was prepared and its crystal structure was determined at 100 K. The neat solid was examined by temperature dependent 57Fe M{\"o}ssbauer 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.",
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T1 - One electron oxidation of triferrocenylmethanol

T2 - Synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc 3COH]+ PF6-

AU - Butenschön, Holger

AU - Ma, Jingxiang

AU - Daniliuc, Constantin G.

AU - Nowik, Israel

AU - Herber, Rolfe H.

PY - 2011/3/2

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N2 - The title compound 2 was prepared and its crystal structure was determined at 100 K. The neat solid was examined by temperature dependent 57Fe Mössbauer 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.

AB - The title compound 2 was prepared and its crystal structure was determined at 100 K. The neat solid was examined by temperature dependent 57Fe Mössbauer 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.

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