Fluorescence Products from Terrylenediimide with Singlet Oxygen: Red, Green, and Near-Infrared Emission

Abstract

The rich photo-oxidation pathways and products of terrylenediimide (TDI) with singlet oxygen (¹O₂) have been examined by powerful computational approaches. Potential energy profiles and product fluorescence properties are characterized. A variety of new products are unraveled and predicted to emit fluorescence at both visible and near-infrared ranges, which could open the possibility for interesting applications of using TDI as a fluorescence probe for the single-molecule detection of ¹O₂ and designing multicolor photoconvertible fluorophores based on ¹O₂ oxidation