Spectroscopy and photophysics of flavin-related compounds: 3-Benzyl-lumiflavin

Małgorzata Insińska-Rak, Ewa Sikorska, Jose R. Herance, Jose L. Bourdelande, Igor V. Khmelinskii, Maciej Kubicki, Wiesław Prukała, Isabel F. Machado, Anna Komasa, Luis F.V. Ferreira, Marek Sikorski

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Abstract

Molecular structure, spectroscopic and photophysical data for the singlet state of 3-benzyl-lumiflavin in different solvents are presented. Theoretical studies concerning singlet-singlet and triplet-triplet excitation energies were carried out using time-dependent density functional theory (TD-DFT) calculations. These predictions are in good agreement with the experimental results, which reflect the solvent interactions. All the observable singlet-singlet transitions have π-π* character. The title compound appears to be an efficient sensitizer of the production of singlet oxygen (φΔ = 0.53). The crystal structure of 3-benzyl-lumiflavin is also presented, along with its solid-state photophysical data. © The Royal Society of Chemistry and Owner Societies 2005.
Original languageEnglish
Pages (from-to)463-468
JournalPhotochemical and Photobiological Sciences
Volume4
Issue number6
DOIs
Publication statusPublished - 1 Jun 2005

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