Electronic structure and photophysics of (C=C)tetra-p-tolylporphyrin2+.
Photochem Photobiol Sci
; 12(10): 1774-9, 2013 Oct.
Article
em En
| MEDLINE
| ID: mdl-23824409
ABSTRACT
The electronic structure and photophysical properties of (C=C)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 C=C unit in (C=C)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.
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MEDLINE
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En
Ano de publicação:
2013
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Article