Theoretical study on the photophysical properties of thiophene-fused-type BODIPY series molecules in fluorescence imaging and photodynamic therapy

Abstract

DFT reveals that the thiophene ring reduces ΔEST, while weak electron-donating substituents at meso-position of thieno-fused BODIPYs and electron-withdrawing groups at para-position of the phenyl ring in thieno-pyrrole-fused BODIPYs favor ISC.