Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD‐DFT Study

Abstract

Because of their important photonic applications, the curcumin molecules, which can easily be found in nature, are interesting in the study of nonlinear optical (NLO) properties. Density functional theory (DFT) calculations on ground state molecular geometries of [(bpy-CH3)M(curc)] Cl complexes, where M = Cr,