Covalently Functionalized Nanoparticles of Semiconducting Metal Chalcogenides and Their Attributes

Abstract Covalent functionalization of the semiconducting chalcogenide nanoparticles ZnS, ZnSe and CdS by reaction with organic halides, specifically iodobenzenes, has been demonstrated. DFT calculations have thrown light on the electronic structure of the functionalized chalcogenides. Chalcogenides with bonded phenyl groups exhibit a long wavelength charge‐transfer band as predicted by theory. Functionalization has been carried out with fluorophores as well. Functionalization of semiconducting chalcogenide particles offers many possibilities for study of their properties and application.