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Tuning Ground States of Bis(triarylamine) Dications: From a Closed‐Shell Singlet to a Diradicaloid with an Excited Triplet State
Author(s) -
Su Yuanting,
Wang Xingyong,
Zheng Xin,
Zhang Zaichao,
Song You,
Sui Yunxia,
Li Yizhi,
Wang Xinping
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201309458
Subject(s) - excited state , singlet state , open shell , ground state , triplet state , singlet fission , chemistry , substituent , electron paramagnetic resonance , electronic structure , diradical , atomic physics , photochemistry , molecular physics , computational chemistry , physics , stereochemistry , nuclear magnetic resonance
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.