1323977-61-2Relevant academic research and scientific papers
Singlet oxygen generation properties of isometrically dibromated thienyl-containing aza-BODIPYs
Jiang, Xin-Dong,Li, Shuang,Le Guennic, Boris,Jacquemin, Denis,Escudero, Daniel,Xiao, Linjiu
, p. 32686 - 32690 (2017/09/15)
Isometrically dibromated thienyl-containing aza-BODIPYs CDB-1 and BDB-2 with potential use as photosensitizers (PSs) were successfully prepared and their photophysical properties were fully characterized. Singlet oxygen generation experiments were also performed. In this regard, PS CDB-1 was found to be more effective and had about two-fold rate enhancement compared to PS BDB-2. DFT and TD-DFT calculations helped to provide insights into the distinct intersystem crossing (ISC) processes observed for CDB-1 and BDB-2.
Synthesis of thiophene-substituted aza-BODIPYs and their optical and electrochemical properties
Gresser, Roland,Hartmann, Horst,Wrackmeyer, Marion,Leo, Karl,Riede, Moritz
, p. 7148 - 7155 (2011/10/08)
A series of novel thiophene-substituted aza-BODIPY dyes were synthesized by means of a standard procedure and complemented by a Stille-coupling of a brominated species with 2-tributylstannylthiophene. The optical as well as the electrochemical properties of the compounds were investigated and compared to result of density functional theory (DFT) calculations. The influence of the thiophene substituents is discussed in dependence of the position at the aza-BODIPY core regarding the HOMO and LUMO frontier orbitals. The different distributions of the HOMO and LUMO coefficients over the BODIPY core lead to a variable influence of the thiophene substituents on the HOMO and LUMO energies, being the origin of the tunable optical and electrochemical properties.
