Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates

Bandeira NAG, Sadeghi O, Woods TJ, Zhang Y-Z, Schnack J, Dunbar K, Nyman M, Bo C (2017)
Journal of Physical Chemistry A 121(6): 1310-1318.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
A computational study and magnetic susceptibility measurements of three homonuclear Fe(III) Keggin structures are herein presented: the [FeO4@Fe12F24(mu-OCH3)(12)](5-) anion (1), the [Bi6{FeO4@Fe12O12(OH)(12)}(mu-O2CCCl3)(12)]+ cation (2) and its polymorph [Bi6{FeO4@Fe12O12(OH)(10)(H2O)(2)}(mu-O2CCF3)(10)](3+) (3). These results are contrasted with the exchange interactions present in the previously characterized [Fe-6(OH)(3)Ge2W18O68(OH)(6)](11-) and [H12As4Fe8W30O120(H2O)(2)](4-) anions. The computational analysis shows that the most significant antiferromagnetic spin coupling takes place at the junction between each of the {Fe3O6(OH)(3)}/{Fe3F6(OCH3)(3)} framework motifs, a possibility that had been previously discarded in the literature on the basis of the Fe-Fe distances. For all the examined iron(III) Keggin structures, it is found that the magnitude of the magnetic couplings within each structural subunit follows the same trend.
Erscheinungsjahr
Zeitschriftentitel
Journal of Physical Chemistry A
Band
121
Zeitschriftennummer
6
Seite
1310-1318
ISSN
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Bandeira NAG, Sadeghi O, Woods TJ, et al. Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates. Journal of Physical Chemistry A. 2017;121(6):1310-1318.
Bandeira, N. A. G., Sadeghi, O., Woods, T. J., Zhang, Y. - Z., Schnack, J., Dunbar, K., Nyman, M., et al. (2017). Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates. Journal of Physical Chemistry A, 121(6), 1310-1318. doi:10.1021/acs.jpca.6b10763
Bandeira, N. A. G., Sadeghi, O., Woods, T. J., Zhang, Y. - Z., Schnack, J., Dunbar, K., Nyman, M., and Bo, C. (2017). Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates. Journal of Physical Chemistry A 121, 1310-1318.
Bandeira, N.A.G., et al., 2017. Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates. Journal of Physical Chemistry A, 121(6), p 1310-1318.
N.A.G. Bandeira, et al., “Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates”, Journal of Physical Chemistry A, vol. 121, 2017, pp. 1310-1318.
Bandeira, N.A.G., Sadeghi, O., Woods, T.J., Zhang, Y.-Z., Schnack, J., Dunbar, K., Nyman, M., Bo, C.: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates. Journal of Physical Chemistry A. 121, 1310-1318 (2017).
Bandeira, Nuno A. G., Sadeghi, Omid, Woods, Toby J., Zhang, Yuan-Zhu, Schnack, Jürgen, Dunbar, Kim, Nyman, May, and Bo, Caries. “Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates”. Journal of Physical Chemistry A 121.6 (2017): 1310-1318.

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Reconciling the valence state with magnetism in mixed-valent polyoxometalates: the case of a {VO2F2@V22O54} cluster.
Kozłowski P, Notario-Estévez A, de Graaf C, López X, Yu Monakhov K., Phys Chem Chem Phys 19(44), 2017
PMID: 29087415

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