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

被引：4
|
作者：
Tadyszaka, K. [1 ,2 ]
Rudowicz, C. [3 ]
机构：
[1] Adam Mickiewicz Univ, NanoBioMed Ctr, Umultowska 85, PL-61614 Poznan, Poland
[2] Polish Acad Sci, Inst Mol Phys, M Smoluchowskiego 17, PL-60179 Poznan, Poland
[3] Adam Mickiewicz Univ, Fac Chem, Umultowska 89B, PL-61614 Poznan, Poland
来源：
ACTA PHYSICA POLONICA A | 2017年 / 132卷 / 01期
关键词：
ELECTRON-PARAMAGNETIC-RESONANCE; ZERO-FIELD SPLITTINGS; HIGH-FREQUENCY; 3D(6) IONS; SITES; 3D(4); MANGANESE(III); PARAMETERS; PRESSURE; CRYSTALS;
D O I：
10.12693/APhysPolA.132.15
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The electron magnetic resonance data on high-spin (S = 2) manganese(III) 3d(4) 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 (Delta(i)) within the D-5 multiplet only may not be suitable for this system. Contributions due to the levels arising from the higher-lying H-3 multiplet need to be taken into account in order to determine the reasonable values of microscopic parameters describing Mn(III) ions in MnTPPCl.
引用
收藏
页码：15 / 18
页数：4
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