Investigation of substituent effect on rhenium complexes by DFT methods: Structural analysis, IR spectrum, quantum chemical parameter, NLO and OLED properties, molecular docking
Ceylan Alkaya Yıldız, Elif Güney, Vesim Nasif, Duran Karakaş, Sultan Erkan
Topics & Concepts
ChemistryMolecular orbitalComputational chemistryElectrophileCrystallographySubstituentOLEDPhysical chemistryMolecular geometryMoleculeStereochemistryOrganic chemistryCatalysisLayer (electronics)Metal complexes synthesis and propertiesNonlinear Optical Materials ResearchClick Chemistry and Applications