高自旋低自旋跃迁
High-spin low-spin transition
摘要：
利用同步辐射的变温核非弹性散射（NIS）研究了自旋交叉配合物[Fe（tpa）（NCS）（2）]（tpa =三（2-吡啶甲基）胺）的两种自旋态.铁配位体键拉伸自旋交叉时的显着增加已明确确定通过比较测得的NIS光谱与基于密度泛函计算的理论模拟。
英文摘要：
Temperature dependent nuclear inelastic-scattering (NIS) of synchrotron radiation was applied to investigate both spin states of the spin-crossover complex [Fe(tpa)(NCS)(2)] (tpa = tris(2-pyridylmethyl)amine). A remarkable increase of the iron-ligand bond stretching upon spin crossover has unambiguously been identified by comparing the measured NIS spectra with theoretical simulations based on density-functional calculations.
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