Cluster formation between an oxadiazole derivative with metal nanoclusters (Ag/Au/Cu), graphene quantum dot sheets, SERS studies, and solvent effects

Interaction of an oxadiazole derivative, 5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (DPMO) with Ag/Au/Cu and graphene quantum dots different solvents, is reported theoretically. The adsorption energy maximum for the Cu6 cluster minimum Ag6 cluster. asymmetric charge redistribution between DPMO M6s produces improvement in dipole moment values. decrease gaps complexes increased conductivity metal clusters can be used as a drug sensor. solvation energies are more negative solvent media than gaseous media, indicating enhancement medium’s stability. Wave function studies show that there exist significant noncovalent interactions facilitate formation. found to form stable which evident from Raman activity system through SERS also enabling it sensing mixture.