The redox-active materials based on the condensation product of cyclohexanehexone with p-phenylenediamine (PTDA) were synthesized. The effect of the reactant ratios (1: n, n = 1, 2, 3) on the morphology and electrochemical properties of the resulting polymers PTDA1-PTDA3 was analyzed. In the case of PTDA3, a regular network crosslinked by CN-C bonds is formed resulting in a significant increase in the practical capacity of this material from 160 to 285 mAh g⁻¹ corresponding to a three-electron redox process. Quantum-chemical modeling was performed to clarify the peculiarities of the lithiation mechanism. It is shown that the best sites for lithium cation coordination are adjacent oxygen and nitrogen atoms or two nitrogen atoms. For all polymer structures, sequential redox lithiation-delithiation processes have been established.

合成了基于环己酮与对苯二胺(PTDA)的缩合产物的氧化还原活性材料。分析了反应物比例 (1: n, n = 1, 2, 3) 对所得聚合物 PTDA1-PTDA3 的形态和电化学性能的影响。在 PTDA3 的情况下，形成由 C N-C 键交联的规则网络，导致该材料的实际容量从 160 到 285 mAh g ^{-1显着增加}对应于三电子氧化还原过程。进行量子化学建模以阐明锂化机制的特殊性。结果表明，锂离子配位的最佳位置是相邻的氧和氮原子或两个氮原子。对于所有聚合物结构，已经建立了顺序氧化还原锂化-脱锂过程。