Towards improved halogenated BODIPY photosensitizers: clues on structural designs and heavy atom substitution patterns

Abstract

The singlet oxygen (¹O₂) production quantum yield (Φ_Δ) of 14 halogenated BODIPY dyes has been determined (0.01 < Φ_Δ < 0.99). ¹O₂ production and photostability have been evaluated considering the BODIPY structure, the substitution pattern, and the number and type of heavy atoms and quenching rate constants of ¹O₂ by the sensitizer. In view of the experimental results and principal component analysis (PCA), guidelines for an improved design of efficient and photostable halo-BODIPY sensitizers are proposed.