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Issue 10, 2013
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Electronic structure and photophysics of (C[double bond, length as m-dash]C)tetra-p-tolylporphyrin2+

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Abstract

The electronic structure and photophysical properties of (C[double bond, length as m-dash]C)TTP2+ (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[double bond, length as m-dash]C unit in (C[double bond, length as m-dash]C)TTP2+ 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.

Graphical abstract: Electronic structure and photophysics of (C [[double bond, length as m-dash]] C)tetra-p-tolylporphyrin2+

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Article information


Submitted
21 May 2013
Accepted
20 Jun 2013
First published
21 Jun 2013

Photochem. Photobiol. Sci., 2013,12, 1774-1779
Article type
Paper

Electronic structure and photophysics of (C[double bond, length as m-dash]C)tetra-p-tolylporphyrin2+

Y. M. Sung, M. Vasiliu, D. A. Dixon, M. Bonizzoni, D. Kim and T. P. Vaid, Photochem. Photobiol. Sci., 2013, 12, 1774
DOI: 10.1039/C3PP50155H

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