Parallel-mode EPR spectra of the hexaaqua manganese(II) Ion in tetrahedral symmetry
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Parallel-mode EPR spectra of the hexaaqua manganese(II) Ion in tetrahedral symmetry. / Henrichsen, Margrete Juel; Bendix, Jesper; Weihe, Høgni.
I: Comptes Rendus Chimie, Bind 27, Nr. S1, 2024.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Parallel-mode EPR spectra of the hexaaqua manganese(II) Ion in tetrahedral symmetry
AU - Henrichsen, Margrete Juel
AU - Bendix, Jesper
AU - Weihe, Høgni
N1 - Publisher Copyright: © 2024 Academie des sciences. All rights reserved.
PY - 2024
Y1 - 2024
N2 - Parallel-mode X-band EPR spectra of the manganese(II) hexaaqua ion as substitutional impurity in Cs[Mg(H2O)6]AsO4 are presented and interpreted. In this lattice the aqua ion, considering also the disposition of the hydrogen atoms, occupies a crystallographic site with tetrahedral symmetry. This rare situation enables that the line positions as well as the intensities in the parallel-mode EPR spectra can be modelled with a simple three-parameter cubic-symmetry spin Hamiltonian, including the isotropic Zeeman interaction (g) pertinent to the S = 5/2 electronic spin, the isotropic hyperfine interaction (A), between the electronic spin and the I = 5/2 nuclear spin, and the cubic splitting (a) of the S = 5/2 manifold. A simple formalism, based on perturbation theory to grossly account for the observed intensities, is presented. We observe all parallel-mode-allowed hyperfine transitions associated with all fine-structure transitions.
AB - Parallel-mode X-band EPR spectra of the manganese(II) hexaaqua ion as substitutional impurity in Cs[Mg(H2O)6]AsO4 are presented and interpreted. In this lattice the aqua ion, considering also the disposition of the hydrogen atoms, occupies a crystallographic site with tetrahedral symmetry. This rare situation enables that the line positions as well as the intensities in the parallel-mode EPR spectra can be modelled with a simple three-parameter cubic-symmetry spin Hamiltonian, including the isotropic Zeeman interaction (g) pertinent to the S = 5/2 electronic spin, the isotropic hyperfine interaction (A), between the electronic spin and the I = 5/2 nuclear spin, and the cubic splitting (a) of the S = 5/2 manifold. A simple formalism, based on perturbation theory to grossly account for the observed intensities, is presented. We observe all parallel-mode-allowed hyperfine transitions associated with all fine-structure transitions.
KW - Cubic symmetry
KW - Flip-flop transitions
KW - Hyperfine interaction
KW - Manganese(II)
KW - Parallel-mode EPR
U2 - 10.5802/crchim.266
DO - 10.5802/crchim.266
M3 - Journal article
AN - SCOPUS:85192998301
VL - 27
JO - Comptes Rendus Chimie
JF - Comptes Rendus Chimie
SN - 1631-0748
IS - S1
ER -
ID: 397906354