Autor: Piwowarska, D. - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: Modelling of EMR data for Fe2+(S=2) ions in a [2Fe-2S] cluster in the reduced ferredoxin
Autorzy:: Rudowicz, Cz.
Piwowarska, D.
Gnutek, P.
Powiązania:: https://bibliotekanauki.pl/articles/146266.pdf
Data publikacji:: 2013
Wydawca:: Instytut Chemii i Techniki Jądrowej
Tematy:: [2Fe-2S] cluster
electron magnetic resonance (EMR)
Fe2+ ions
microscopic spin Hamiltonian (MSH)
zero field splitting (ZFS) parameters
Opis:: The modelling techniques employed in this study utilize structural data to enable correlation of EMR data – described by the spin Hamiltonian (SH) and optical spectroscopy data – described by the crystal field (CF) Hamiltonian. These techniques enable also to predict magnetic and spectroscopic properties of 3dN ions, especially 3d4 and 3d6 ions, in various systems. Specific applications are considered for [Fe2+ and Fe3+] binuclear centres in [2Fe-2S] cluster in the reduced ferredoxin and related biological molecules. The background for model calculations of the zero-field splitting (ZFS) parameters and/or crystal field parameters and the capabilities of the two major techniques used will be presented in the full paper. Here, we present preliminary results of the microscopic spin Hamiltonian (MSH) modelling for Fe2+ (3d6) ions in the reduced ferredoxin.
Źródło:: Nukleonika; 2013, 58, 3; 347-350
0029-5922
1508-5791
Pojawia się w:: Nukleonika
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

Tytuł:: Spin Hamiltonian parameters for Co²⁺ ions in PbMoO₄ crystal - interplay between the fictitious spin S=1/2 and the effective spin S̃ =3/2
Autorzy:: Piwowarska, D.
Kaczmarek, S.
Gnutek, P.
Rudowicz, C.
Powiązania:: https://bibliotekanauki.pl/articles/1055009.pdf
Data publikacji:: 2017-07
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 75.10.Dg
71.70.Ch
61.50.Ah
61.72.Hh
76.30.-v
76.30.Fc
Opis:: The interplay between the fictitious spin S' = 1/2 and the effective spin S̃=3/2 for Co²⁺(3d⁷) ions is considered. The available experimental data on the Ze g_{i}' factors for the two Co²⁺ complexes in PbMoO₄ obtained using the fictitious "spin" S'=1/2 description serve for determination of the Zeeman g_{i} factors corresponding to the effective spin S̃ =3/2. The second-rank zero-field splitting parameters D and E (S̃ = 3/2) are also indirectly determined from the experimental EMR data by employing the formulas arising from projection of the g_{i}(S̃=3/2) factors onto the g_{i}'(S' = 1/2) factors. The so-determined second-rank zero-field splitting parameters and g_{i}(S̃ = 3/2) factors will enable comparison with the respective quantities obtained in a subsequent paper using a combined modeling approach.
Źródło:: Acta Physica Polonica A; 2017, 132, 1; 73-76
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

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