Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures

A class of bis(phenothiazine)arene dications were isolated and structurally characterized by using weakly coordinating anions. Their electronic structures were investigated by various experiments in tandem with DFT calculations. They all feature singlet ground states with a considerable diradical ch...

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Published inChemical communications (Cambridge, England) Vol. 51; no. 59; pp. 11822 - 11825
Main Authors Wang, Xingyong, Zhang, Zaichao, Song, You, Su, Yuanting, Wang, Xinping
Format Journal Article
LanguageEnglish
Published England 28.07.2015
Subjects
Alignment
Anions
aromatic amines
aromatic hydrocarbons
chemical reactions
Crystal structure
Electronic structure
Ground state
Mathematical analysis
phenothiazine
Tuning
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Summary:A class of bis(phenothiazine)arene dications were isolated and structurally characterized by using weakly coordinating anions. Their electronic structures were investigated by various experiments in tandem with DFT calculations. They all feature singlet ground states with a considerable diradical character and may be regarded as nearly pure diradicals. Our work demonstrates the important role of orthogonal alignment of spin-carrying π-systems in tuning the electronic structures of bis(triarylamine) dications.
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ISSN:1359-7345
1364-548X
1364-548X
DOI:10.1039/C5CC03573B