EMR Data on Mn(III; S=2) Ions in MnTPPCl Complex Modelled by Microscopic Spin Hamiltonian Approach

• Authors: K. Tadyszak , C. Rudowicz
• Languages of publication: EN

Abstracts

EN

The electron magnetic resonance data on high-spin (S =2) manganese(III) 3d⁴ ion in tetraphenylporphyrinato chloride complex (MnTPPCl) obtained by high-frequency techniques are reanalysed. Preliminary results of semiempirical modeling of the spin Hamiltonian parameters for Mn(III) in MnTPPCl are presented. The microscopic spin Hamiltonian approach is utilized to predict the zero-field splitting and the Zeeman electronic parameters. It is found that for Mn(III) ions in MnTPPCl matching the experimental spin Hamiltonian parameters and the theoretical ones based on the ligand-field energy levels (Δ_{i}) within the ⁵D multiplet only may not be suitable for this system. Contributions due to the levels arising from the higher-lying ³H multiplet need to be taken into account in order to determine the reasonable values of microscopic parameters describing Mn(III) ions in MnTPPCl.

Keywords

EN

33.35.+r; 71.70.Ch; 71.70.Ej; 76.20.+q; 76.30.-v; 76.30.Fc; 87.80.Lg

Discipline

• 76.30.-v: Electron paramagnetic resonance and relaxation(see also 33.35.+r Electron resonance and relaxation in atomic and molecular physics; 87.80.Lg Magnetic and paramagnetic resonance in biological physics)
• 76.20.+q: General theory of resonances and relaxations
• 76.30.Fc: Iron group (3d) ions and impurities (Ti-Cu)
• 33.35.+r: Electron resonance and relaxation(see also 76.30.-v Electron paramagnetic resonance and relaxation in condensed matter)
• 71.70.Ch: Crystal and ligand fields
• 71.70.Ej: Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect
• 87.80.Lg: Magnetic and paramagnetic resonance

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2017
• Volume: 132
• Issue: 1
• Pages: 15-19

Dates

published

2017-07

Contributors

author

K. Tadyszak

• NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland
• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

author

C. Rudowicz

• Visiting Professor: Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89B, 61-614 Poznań, Poland

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Identifiers

DOI

10.12693/APhysPolA.132.15