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

doi:10.1039/b503898g

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

Department of Chemistry

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25 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 language	English
Pages (from-to)	463-468
Journal	Photochemical and Photobiological Sciences
Volume	4
Issue number	6
DOIs	https://doi.org/10.1039/b503898g
Publication status	Published - 1 Jun 2005

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title = "Spectroscopy and photophysics of flavin-related compounds: 3-Benzyl-lumiflavin",

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. {\textcopyright} The Royal Society of Chemistry and Owner Societies 2005.",

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

year = "2005",

month = jun,

day = "1",

doi = "10.1039/b503898g",

language = "English",

volume = "4",

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journal = "Photochemical and Photobiological Sciences",

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TY - JOUR

T1 - Spectroscopy and photophysics of flavin-related compounds: 3-Benzyl-lumiflavin

AU - Insińska-Rak, Małgorzata

AU - Sikorska, Ewa

AU - Herance, Jose R.

AU - Bourdelande, Jose L.

AU - Khmelinskii, Igor V.

AU - Kubicki, Maciej

AU - Prukała, Wiesław

AU - Machado, Isabel F.

AU - Komasa, Anna

AU - Ferreira, Luis F.V.

AU - Sikorski, Marek

PY - 2005/6/1

Y1 - 2005/6/1

N2 - 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.

AB - 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.

U2 - 10.1039/b503898g

DO - 10.1039/b503898g

M3 - Article

SN - 1474-905X

VL - 4

SP - 463

EP - 468

JO - Photochemical and Photobiological Sciences

JF - Photochemical and Photobiological Sciences

IS - 6

ER -

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

Abstract

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