Impact of the macrocyclic structure and dynamic solvent effect on the reactivity of a localised singlet diradicaloid with π-single bonding character
Zhe Wang, Rikuo Akisaka, Sohshi Yabumoto, Tatsuo Nakagawa, Sayaka Hatano, Manabu Abe
Abstract
, 200 ns) at 293 K in benzene, respectively. In addition, a significant dynamic solvent effect was observed for the first time in intramolecular radical-radical coupling reactions in viscous solvents such as glycerin triacetate. This theoretical and experimental study demonstrates that the stretch effect and solvent viscosity play important roles in retarding the σ-bond formation process, thus enabling a thorough examination of the nature of the singlet diradicaloid and paving the way toward a deeper understanding of reactive intermediates.
Topics & Concepts
ChemistrySinglet statePhotochemistryHomolysisIntramolecular forceSolventReactivity (psychology)Computational chemistryRadicalOrganic chemistryExcited stateAlternative medicinePhysicsNuclear physicsMedicinePathologyPhotochemistry and Electron Transfer StudiesSynthesis and Properties of Aromatic CompoundsPorphyrin and Phthalocyanine Chemistry