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

doi:10.1016/j.molstruc.2005.09.005

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

Departament de Química

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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.

Idioma original	Anglès
Pàgines (de-a)	184-190
Revista	Journal of Molecular Structure
Volum	783
Número	1-3
DOIs	https://doi.org/10.1016/j.molstruc.2005.09.005
Estat de la publicació	Publicada - 6 de febr. 2006

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10.1016/j.molstruc.2005.09.005

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Insińska-Rak, M., Sikorska, E., Bourdelande, J. L., Khmelinskii, I. V., Prukała, W., Dobek, K., Karolczak, J., Machado, I. F., Ferreira, L. F. V., Komasa, A., Worrall, D. R., & Sikorski, M. (2006). Spectroscopy and photophysics of flavin-related compounds: 5-deaza-riboflavin. Journal of Molecular Structure, 783(1-3), 184-190. https://doi.org/10.1016/j.molstruc.2005.09.005

@article{fd091d1dd1ac4921bbe5247836d86b92,

title = "Spectroscopy and photophysics of flavin-related compounds: 5-deaza-riboflavin",

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. {\textcopyright} 2005 Elsevier B.V. All rights reserved.",

author = "Ma{\l}gorzata Insi{\'n}ska-Rak and Ewa Sikorska and Bourdelande, {Jose L.} and Khmelinskii, {Igor V.} and Wies{\l}aw Pruka{\l}a and Krzysztof Dobek and Jerzy Karolczak and Machado, {Isabel F.} and Ferreira, {Luis F V} and Anna Komasa and Worrall, {David R.} and Marek Sikorski",

year = "2006",

month = feb,

day = "6",

doi = "10.1016/j.molstruc.2005.09.005",

language = "English",

volume = "783",

pages = "184--190",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

number = "1-3",

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TY - JOUR

T1 - Spectroscopy and photophysics of flavin-related compounds: 5-deaza-riboflavin

AU - Insińska-Rak, Małgorzata

AU - Sikorska, Ewa

AU - Bourdelande, Jose L.

AU - Khmelinskii, Igor V.

AU - Prukała, Wiesław

AU - Dobek, Krzysztof

AU - Karolczak, Jerzy

AU - Machado, Isabel F.

AU - Ferreira, Luis F V

AU - Komasa, Anna

AU - Worrall, David R.

AU - Sikorski, Marek

PY - 2006/2/6

Y1 - 2006/2/6

N2 - 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.

AB - 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.

U2 - 10.1016/j.molstruc.2005.09.005

DO - 10.1016/j.molstruc.2005.09.005

M3 - Article

SN - 0022-2860

VL - 783

SP - 184

EP - 190

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

IS - 1-3

ER -

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

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