State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China).
Angew Chem Int Ed Engl. 2014 Mar 10;53(11):2857-61. doi: 10.1002/anie.201309458. Epub 2014 Feb 3.
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.
三种双（三芳基胺）二阳离子通过使用弱配位阴离子分离得到。通过各种实验与理论计算相结合，研究了它们在基态下的电子结构。这些物质的基态电子结构可以通过取代基效应进行调节，其中两种在固态下为闭壳层单重态，一种为开壳层单重态。后者的激发态是热可及的，这一点通过 EPR 和 SQUID 测量得到了证实。这项工作提供了一种新的、稳定的三重态双自由基结构基元。
