Spectroscopy and photophysics of flavin-related compounds: 5-deaza-riboflavin

Małgorzata Insińska-Rak, Ewa Sikorska, Jose L. Bourdelande, Igor V. Khmelinskii, Wiesław Prukała, Krzysztof Dobek, Jerzy Karolczak, Isabel F. Machado, Luis F V Ferreira, Anna Komasa, David R. Worrall, Marek Sikorski

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20 Citations (Scopus)

Abstract

The properties of 5-deaza-riboflavin were characterized in solutions and in the solid state. Spectroscopic and photophysical data for the singlet state of the title compound in methanol are presented. Comparison of the emission spectrum in the solid state with the respective spectrum obtained in solution reflects the solvent influence. Theoretical studies concerning singlet-singlet and triplet-triplet excitation energies were carried out using TD-DFT calculations. All the observable singlet-singlet transitions were characterized as π,π* type. The title compound was shown to be an efficient sensitizer of the production of singlet oxygen (φΔ=0.33). We also present 1H and 13C NMR spectra. © 2005 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)184-190
JournalJournal of Molecular Structure
Volume783
Issue number1-3
DOIs
Publication statusPublished - 6 Feb 2006

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