Tuning Ground States of Bis(triarylamine) Dications: From a Closed-Shell Singlet to a Diradicaloid with an Excited Triplet State
Tuning Ground States of Bis(triarylamine) Dications: From a Closed-Shell Singlet to a Diradicaloid with an Excited Triplet State
复制标题
调整双（三芳胺）双阳离子的基态：从闭壳单线态到具有激发三线态的双自由基
DOI：
10.1002/anie.201309458
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发表时间：
2014-03-10
影响因子：
16.6
通讯作者：
Wang, Xinping
中科院分区：
文献类型：
--
作者：
Su, Yuanting;Wang, Xingyong;Wang, Xinping
用弱配位阴离子分离出三个双（三芳胺）适应症。通过各种实验结合理论计算研究了它们在基态的电子结构。这两种化合物的基态电子结构可通过取代基效应进行调节，其中两种在固态状态下为闭壳单重态，另一种为开壳单重态。后者的激发态是热可接近的，由EPR和SQUID测量表明。这项工作提供了一个新的和稳定的双根状结构基序与激发态三重态。
Three bis(triarylamine) dications were isolated by using weakly coordinating anions. Their electronic structures in the ground state were investigated by various experiments in conjunction with theoretical calculations. The ground-state electronic structures of these species were tunable by substituent effects, with two of them as closed-shell singlets and one of them as an open-shell singlet in the solid state. The excited state of the latter is thermally accessible, indicated by EPR and SQUID measurements. The work provides a new and stable diradicaloid structure motif with an excited triplet sate.