The electronic structure and photophysical properties of (CC)TTP 2+ (TTP = tetra-p-tolylporphyrin) were scrutinized by using quantum mechanical calculations and transient absorption spectroscopic measurements. When compared to a metalloporphyrin, the presence of the CC unit in (CC)TTP 2+ causes a splitting of the degenerate LUMO and a large decrease in the HOMO-LUMO gap, while the 2+ charge and tolyl groups lead to additional charge-transfer-like transitions in the visible absorption spectrum. The small HOMO-LUMO gap and ruffled structure lead to a very short excited-state lifetime of 10 ± 0.3 ps.
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry