Electronic structure and photophysics of (C=C)tetra-p-tolylporphyrin 2+

Young Mo Sung, Monica Vasiliu, David A. Dixon, Marco Bonizzoni, Dongho Kim, Thomas P. Vaid

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1774-1779
Number of pages6
JournalPhotochemical and Photobiological Sciences
Volume12
Issue number10
DOIs
Publication statusPublished - 2013 Oct 1

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Electronic structure
electronic structure
visible spectrum
Metalloporphyrins
charge transfer
Electron transitions
absorption spectra
Excited states
life (durability)
Charge transfer
causes
Absorption spectra
excitation
thymidine 5'-triphosphate

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

Cite this

Sung, Young Mo ; Vasiliu, Monica ; Dixon, David A. ; Bonizzoni, Marco ; Kim, Dongho ; Vaid, Thomas P. / Electronic structure and photophysics of (C=C)tetra-p-tolylporphyrin 2+. In: Photochemical and Photobiological Sciences. 2013 ; Vol. 12, No. 10. pp. 1774-1779.
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Electronic structure and photophysics of (C=C)tetra-p-tolylporphyrin 2+. / Sung, Young Mo; Vasiliu, Monica; Dixon, David A.; Bonizzoni, Marco; Kim, Dongho; Vaid, Thomas P.

In: Photochemical and Photobiological Sciences, Vol. 12, No. 10, 01.10.2013, p. 1774-1779.

Research output: Contribution to journalArticle

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AU - Sung, Young Mo

AU - Vasiliu, Monica

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AU - Kim, Dongho

AU - Vaid, Thomas P.

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AB - 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.

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