The elastic interaction of high-spin and low-spin complex molecules in spin-crossover compounds
The elastic interaction of high-spin and low-spin complex molecules in spin-crossover compounds
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自旋交叉化合物中高自旋和低自旋复杂分子的弹性相互作用
DOI：
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发表时间：
1988
期刊：
影响因子：
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通讯作者：
H. Spiering
中科院分区：
文献类型：
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作者：
N. Willenbacher;H. Spiering
几种过渡金属化合物显示出从低自旋（LS）到高自旋（HS）的电子状态随温度升高的过渡。合作性质的过渡通常是参数化的相互作用常数伽玛，其起源仍在讨论中。在晶格膨胀模式的框架下，相互作用γ归因于自旋变化离子之间的弹性相互作用，这是伴随着转变的晶体变形的结果。作者计算了完全弹性能量起源于所谓的图像压力在封闭的形式，考虑晶体作为一个各向同性的均匀弹性介质与自旋变化的离子作为不可压缩的夹杂物描述的全弹性偶极子张量PHS和PLS，分别。根据X射线衍射数据和对化合物（Fe（2-pic）_3）Cl_2.Sol（2-pic=2-aminomethylpyridine，Sol=MeOH，EtOH）和（Fe（2-pic-ND_2）_3）Cl_2.EtOD的弹性常数的合理估计，计算了γ值，并与实验值进行了比较。
Several transition metal compounds show a transition from the low-spin (LS) to the high-spin (HS) electronic state with increasing temperature. The cooperative nature of the transition is usually parametrised by an interaction constant Gamma , the origin of which is still under discussion. In the frame of the lattice expansion mode, the interaction Gamma is attributed to the elastic interaction between the spin-changing ions as a result of the deformation of the crystal accompanying the transition. The authors calculate the complete elastic energy originating from the so-called image pressure in closed form by considering the crystal as an isotropic homogeneous elastic medium with the spin-changing ions as incompressible inclusions described by the full elastic dipole tensors PHS and PLS, respectively. The calculated values of Gamma based on X-ray data and reasonable estimates of the elastic constants of the compounds (Fe(2-pic)3)Cl2.Sol (2-pic=2-aminomethylpyridine, Sol=MeOH,EtOH) and (Fe(2-pic-ND2)3)Cl2.EtOD are compared with the experimental values of Gamma .