Bond breaking of furan–maleimide adducts <i>via</i> a diradical sequential mechanism under an external mechanical force
Manuel Cardosa-Gutierrez, Guillaume De Bo, Anne‐Sophie Duwez, F. Remacle
Abstract
, 12263-12266]. In the intermediate region of the path between the rupture of the first and the second bond, the lowest singlet state exhibits a diradical character for both adducts and is close in energy to a diradical triplet state. The computed values of spin-orbit coupling along the path are too small for inducing intersystem crossings. These findings open the way for the rational design of DA mechanophores for polymer science and photochemistry.
Topics & Concepts
DiradicalChemistryAdductMaleimideSinglet stateCovalent bondComputational chemistryPhotochemistryConcerted reactionFuranStereochemistryPolymer chemistryOrganic chemistryExcited stateCatalysisPhysicsNuclear physicsMechanical and Optical ResonatorsForce Microscopy Techniques and ApplicationsLiquid Crystal Research Advancements