Institute of Applied Physics, Academy of Sciences of Moldova, Kishinev, Moldova.
Inorg Chem. 2011 Nov 21;50(22):11394-402. doi: 10.1021/ic201025u. Epub 2011 Oct 25.
A microscopic approach to the problem of cooperative spin crossover in the [MnL2]NO3 crystal, which contains Mn(III) ions as structural units, is elaborated on, and the main mechanisms governing this effect are revealed. The proposed model also takes into account the splitting of the low-spin 3T1 (t(2)(4)) and high-spin 5E (t(2)(3)e) terms by the low-symmetry crystal field. The low-spin → high-spin transition has been considered as a cooperative phenomenon driven by interaction of the electronic shells of the Mn(III) ions with the all-around full-symmetric deformation that is extended over the crystal lattice via the acoustic phonon field. The model well explains the observed thermal dependencies of the magnetic susceptibility and the effective magnetic moment.
阐述了 [MnL2]NO3 晶体中协同自旋交叉问题的微观方法，该晶体包含作为结构单元的 Mn(III)离子，并揭示了控制这种效应的主要机制。所提出的模型还考虑了低对称晶体场对低自旋 3T1(t(2)(4))和高自旋 5E(t(2)(3)e)项的分裂。低自旋→高自旋跃迁被认为是一个协同现象，由 Mn(III)离子的电子壳层与全方位全对称变形之间的相互作用驱动，这种变形通过声子场扩展到整个晶格。该模型很好地解释了观察到的磁化率和有效磁矩的热依赖性。
