Phosphorescence in Bromobenzaldehyde Can Be Enhanced through Intramolecular Heavy Atom Effect

Abstract

A synthetic route to achieve high phosphorescence quantum yield in a purely organic material was achieved by doping a crystal containing heavy bromine atoms with a molecule that contains a triplet producing aromatic carbonyl group. The enhanced phosphorescence originated from intermolecular nonbonding interactions between the bromine and the carbonyl oxygen. In this study we employ a computational approach to design molecules containing both structural motifs, which exhibit enhanced phosphorescence through intramolecular nonbonding interactions between bromine and carbonyl groups.