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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Single crystal EPR determination of the spin Hamiltonian paameters for Fe_8 molecular clusters
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Single crystal EPR determination of the spin Hamiltonian paameters for Fe_8 molecular clusters

机译：Fe_8分子簇的自旋哈密顿量表的单晶EPR测定

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摘要

We use a multi-high-frequency resonant cavity technique to obtain EPR spectra for single crystal samples of the biaxial molecular magnet Fe_8[(tacn)_6O_2(OH)_(12)]Br_8·9H_2O (Fe_8). By performing measurements at many closely spaced frequencies, we are able to extrapolate data back to zero magnetic field and, thereby, obtain accurate estimates of the zero-field splittings. Furthermore, from the (low-) field dpendnce of these splittings, with the magnetic field parallel to the easy axis, we can directly measure the g_z-value. Measurements performed withthe magnetic field parallel to the intermediate and hard axes may be used to constrain further the Hamiltonian parameters. Our results are in broad agreement with recent inelastic neutron scattering data. In addition, analysis of individual resonances (which we can assign to known transitions) reveals a pronounced M_S dependence of the resonance line widths. Furthermore, the line positions exhibit complex (again M_S dependent) temperature dependences that cannot be reconciled with the standard spin Hamiltonian.
机译：我们使用多高频谐振腔技术获得双轴分子磁体Fe_8 [（tacn）_6O_2（OH）_（12）] Br_8·9H_2O（Fe_8）单晶样品的EPR谱。通过在许多紧密间隔的频率上执行测量，我们能够将数据外推回零磁场，从而获得零场分裂的准确估计。此外，根据这些分裂的（低）场相关性，在磁场平行于易轴的情况下，我们可以直接测量g_z值。在平行于中间轴和硬轴的磁场下进行的测量可用于进一步约束哈密顿参数。我们的结果与最新的非弹性中子散射数据基本吻合。此外，对单个共振的分析（我们可以将其分配给已知的跃迁）揭示了共振线宽度的明显的M_S依赖性。此外，线位置表现出复杂的温度依赖性（再次取决于M_S），无法与标准自旋哈密顿量相协调。

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