Yuan-Yuan Yang

Theoretical insights into the thermally activated delayed fluorescence of pyridazine derivatives: balancing twist and charge-transfer character

In this work, a systematic theoretical study of 4,5,6-triphenylpyridazine-3-carbonitrile-based (TPPz-based) donor–acceptor molecules reveals that donor steric bulk critically controls molecular planarity and excited-state properties. The moderately bulky electron-donating 4-(bis(4-(tert-butyl)phenyl)amino)phenyl (BPA)...