Abstract TEC are developing technology to generate electricity from thermal energy. It causes current flow when redox solution disturbs the electrochemical potential equilibrium between the electrolyte and two inert electrodes upon application of a temperature gradient. We explore the spin-crossover materials which have been shown as promising TEC candidates upon its spin-state transition by change of temperature. Particularly, we analyse the correlation of the spin-state transition, redox properties, molecular structures and consequently on TEC performance. Three complexes, [M2(CH3COO)4(L)2] and [M(L)3](BF4)2, where M = Fe(II) and Co(II), and L = extended π-conjugated bipyridyl ligand and N3-Schiff bases were successfully synthesised and characterised. The best performance recorded by Complex 2 owing to the molecular octahedral structure with high-spin which allows higher diffusion of ions. It also noted that the largest change of emax value (Complex 2) arises from spin-states transition brings an additional contribution to the entropy change that accounted for TEC performance.

中文翻译：

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用于热电的自旋交叉 (SCO) 金属配合物 (Fe(II) 和 Co(II)) 的分子设计策略

摘要 TEC 正在开发利用热能发电的技术。当氧化还原溶液在施加温度梯度时扰乱电解质和两个惰性电极之间的电化学电位平衡时，它会导致电流流动。我们探索了自旋交叉材料，这些材料在其通过温度变化的自旋态转变时已被证明是有前途的 TEC 候选材料。特别是，我们分析了自旋态转变、氧化还原特性、分子结构以及因此对 TEC 性能的相关性。三种配合物，[M2(CH3COO)4(L)2] 和 [M(L)3](BF4)2，其中 M = Fe(II) 和 Co(II)，L = 扩展的 π-共轭联吡啶配体和N3-Schiff 碱被成功合成和表征。由于具有高自旋的分子八面体结构，可以实现更高的离子扩散，因此配合物 2 记录的最佳性能。它还指出，emax 值的最大变化（复合体 2）来自自旋状态转换，为解释 TEC 性能的熵变化带来了额外的贡献。