Exploration of Nonlinear Optical Properties for the First Theoretical Framework of Non-Fullerene DTS(FBTTh<sub>2</sub>)<sub>2</sub>-Based Derivatives
Muhammad Usman Khan, Shabbir Hussain, Muhammad Adnan Asghar, Khurram Shahzad Munawar, Rasheed Ahmad Khera, Muhammad Imran, Mohamed M. Ibrahim, Mahmoud M. Hessien, Gaber A. M. Mersal
Abstract
. In short, all of the designed compounds exhibited promising NLO properties because of their low charge transport resistance. These NLO properties may be useful for experimental researchers to uncover NLO materials for modern applications.
Topics & Concepts
HyperpolarizabilityPolarizabilityNatural bond orbitalBand gapBasis setChemistryComputational chemistryAcceptorNonlinear opticalMolecular orbitalHeteroatomReactivity (psychology)Density functional theoryFullerenePhysical chemistryMaterials scienceMoleculeNonlinear systemOrganic chemistryRing (chemistry)OptoelectronicsPhysicsCondensed matter physicsPathologyAlternative medicineMedicineQuantum mechanicsNonlinear Optical Materials ResearchSynthesis and biological activityStructural and Chemical Analysis of Organic and Inorganic Compounds