Sufficient driving force for quinoidal isoindigo-based diradicaloids with tunable diradical characters
Li Shen, Xiaobo Gao, Zhanqing Chang, Changhao Zhang, Yue Li, Jitao Lü, Qing-Guo Meng, Qian Wu
Abstract
, and it is tuned by bridged aromatic units and terminal end groups in symmetric systems. The zwitterionic character weakens the diradical character in asymmetric systems to different extents. This work contributes to the deep understanding of evoking and enhancing the diradical character in quinoidal IID-based diradcialoids, providing useful guidelines to produce new molecules with desirable properties.
Topics & Concepts
DiradicalCharacter (mathematics)MoleculeChemistryAryleneConjugated systemChemical physicsStereochemistryPolymerPhysicsMathematicsOrganic chemistryAtomic physicsGeometryAlkylArylExcited stateSinglet stateBioactive Compounds and Antitumor AgentsAxial and Atropisomeric Chirality SynthesisSynthesis of heterocyclic compounds