Influence of azo-based donor modifications on nonlinear optical amplitude of D-π-A based organic chromophores: A DFT/TD-DFT exploration
Iqra Shafiq, Izza Amanat, Muhammad Khalid, Muhammad Adnan Asghar, Rabia Baby, Sarfraz Ahmed, Saad M. Alshehri
Topics & Concepts
HyperpolarizabilityBathochromic shiftDensity functional theoryChromophorePolarizabilityMolecular orbitalChemistryReactivity (psychology)Computational chemistryTime-dependent density functional theoryAbsorption spectroscopyAtomic orbitalNatural bond orbitalAcceptorPhotochemistryPhysical chemistryMoleculeOrganic chemistryPhysicsFluorescenceCondensed matter physicsElectronPathologyMedicineAlternative medicineQuantum mechanicsNonlinear Optical Materials ResearchChemical synthesis and pharmacological studiesSynthesis and Properties of Aromatic Compounds