DFT/TD-DFT study on development and optimization of 1- anilino-3-phenyliminourea as a colorimetric chemosensor for Hg2+ recognition in aqueous medium
Erna Normaya, Mohamad Faiqwan Ahmad Hamdan, Mohammad Norazmi Ahmad, Yang Farina Abdul Aziz, Ku Halim Ku Bulat
Topics & Concepts
ChemistryAqueous solutionHydrogen bondMetal ions in aqueous solutionSolventHOMO/LUMOStoichiometryIonAcceptorNatural bond orbitalDensity functional theoryComputational chemistryMoleculePhysical chemistryOrganic chemistryPhysicsCondensed matter physicsMolecular Sensors and Ion DetectionCrystallography and molecular interactionsChemistry and Chemical Engineering