The role of π-linkers and electron acceptors in tuning the nonlinear optical properties of BODIPY-based zwitterionic molecules
Tanushree Sutradhar, Anirban Misra
Abstract
-component of the first hyperpolarizability is the dominant factor in this system. Here, the designed molecules show a characteristic reorganisation energy value, which is a deciding factor in the rate of hole/electron transport for favourable intermolecular coupling. As a whole, this theoretical work highlights that π-conjugated linkers and electron acceptor groups can be used judiciously to design new molecular systems for optoelectronic applications.
Topics & Concepts
HyperpolarizabilityBODIPYAcceptorHOMO/LUMOElectron acceptorChemistryMoleculeDensity functional theoryPhotochemistryElectron affinity (data page)Molecular orbitalIntramolecular forceComputational chemistryPolarizabilityOrganic chemistryFluorescencePhysicsCondensed matter physicsQuantum mechanicsNonlinear Optical Materials ResearchLuminescence and Fluorescent MaterialsPorphyrin and Phthalocyanine Chemistry