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

    Fingerprint

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

Cite this