Fluorescence resonance energy transfer in atomically precise metal nanoclusters by cocrystallization-induced spatial confinement

Abstract Understanding the fluorescence resonance energy transfer (FRET) of metal nanoparticles at the atomic level has long been a challenge due to the lack of accurate systems with definite distance and orientation of molecules. Here we present the realization of achieving FRET between two atomically precise copper nanoclusters through cocrystallization-induced spatial confinement. In this study, we demonstrate the establishment of FRET in a cocrystallized Cu 8 ( p -MBT) 8 (PPh 3 ) 4 @Cu 10 ( p -MBT) 10 (PPh 3 ) 4 system by exploiting the overlapping spectra between the excitation of the Cu 10 ( p -MBT) 10 (PPh 3 ) 4 cluster and the emission of the Cu 8 ( p -MBT) 8 (PPh 3 ) 4 cluster, combined with accurate control over the confined space between the two nanoclusters. Density functional theory is employed to provide deeper insights into the role of the distance and dipole orientations of molecules to illustrate the FRET procedure between two cluster molecules at the electronic structure level.