Spectroscopy and Photophysics of 6,8-Dimethylalloxazine. Experimental and Theoretical Study

• Autorzy: Sikorska E. , Khmelinskii I. , Bednarek A. , Williams S. , Worrall D. , Herance J. , Bourdelande J. , Nowacka G. , Koput J. , Sikorski M.
• Języki publikacji: EN

Abstrakty

EN

Photophysics of 6,8-dimethylalloxazine was studied experimentally in function of solvent properties and theoretically by using time-dependent density functional theory (TD-DFT) calculations. The absorption spectrum of 6,8-dimethylalloxazine in the near-UV region shows one broad maximum at approximately 350 nm (ca. 28600 cm-1), which is a superposition of the two lowest-energy bands, and a fluorescence emission band varying from about 462 nm (21600 cm-1) in dioxane and acetonitrile to 475 nm (21000 cm-1) in methanol solution. In aprotic solvents neither band shows a significant dependence on the solvent polarity. The fluorescence lifetime increases in protic relative to aprotic solvents, and increases with increasing solvent polarity, due to reduction of the non-radiative rate constant. TD-DFT calculations provide details of the electronic structure of the molecule in its excited states and allow the interpretation of the observed photophysics in terms of the proximity effect.

Słowa kluczowe

EN

6,8-dimethylalloxazine; photophysics; singlet oxygen; Time-Dependent Density Functional Theory

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2004
• Tom: Vol.78 /nr 11-12
• Strony: 2163--2173
• Opis fizyczny: Bibliogr. 444 poz., rys.

Twórcy

autor

Sikorska E.

• Faculty of Commodity Science, Poznań University of Economics, al. Niepodleglooeci 10, 60-967 Poznan, Poland, Fax: [phone], Tel: [phone],

autor

Khmelinskii I.

• Universidade do Algarve, FCT, Campus de Gambelas, 8005-139 Faro, Portugal

autor

Bednarek A.

• Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznañ, Poland Fax: [phone], Tel: [phone]

autor

Williams S.

• Department of Chemistry, Loughborough University, Loughborough, Leicestershire LE11 3TU, UK

autor

Worrall D.

• Department of Chemistry, Loughborough University, Loughborough, Leicestershire LE11 3TU, UK

autor

Herance J.

• Unitat de Química Orgànica, Universitat Autònoma de Barcelona, Bellaterra, Barcelona 08193, Spain

autor

Bourdelande J.

• Unitat de Química Orgànica, Universitat Autònoma de Barcelona, Bellaterra, Barcelona 08193, Spain

autor

Nowacka G.

• Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznañ, Poland Fax: [phone], Tel: [phone]

autor

Koput J.

• Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznañ, Poland Fax: [phone], Tel: [phone]

autor

Sikorski M.

• Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznañ, Poland Fax: [phone], Tel: [phone]

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