Influence of Peripheral Modification of Electron Acceptors in Nonfullerene (O-IDTBR1)-Based Derivatives on Nonlinear Optical Response: DFT/TDDFT Study
Muhammad Nadeem Arshad, Muhammad Khalid, Mohammad Asad, Ataualpa Albert Carmo Braga, Abdullah M. Asiri, Maha M. Alotaibi
Abstract
au, respectively, among all other derivatives. Effective NLO findings revealed that nonfullerene-based derivatives may contribute significantly to NLO technology.
Topics & Concepts
HyperpolarizabilityPolarizabilityTime-dependent density functional theoryFullereneChromophoreHOMO/LUMOAcceptorDensity functional theoryNonlinear opticalChemistryElectron affinity (data page)Materials scienceComputational chemistryPhotochemistryMoleculeOrganic chemistryPhysicsNonlinear systemQuantum mechanicsCondensed matter physicsNonlinear Optical Materials ResearchOrganic Electronics and PhotovoltaicsFullerene Chemistry and Applications