Spectroscopic properties and singlet oxygen production by the compound ethyl 3,12-dioxopyran[3,2-a]xanthone-2-carboxylate
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- 作者：Antonio Eduardo da Hora Machado ; Lucas Ferreira de Paula ; Ana Maria Ferreira de Oliveira-Campos ; Anderson de Jesus Gomes ; Rodrigo de Paula ; Newton Martins Barbosa Neto
- 关键词：Xanthone ; Absorption ; Emission ; DFT and TD-DFT ; Singlet oxygen ; PUVA therapy
- 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- 出版年：2013
- 出版时间：November, 2013
- 年：2013
- 卷：115
- 期：Complete
- 页码：610-616
- 全文大小：695 K
文摘
The steady state and time resolved experiments together with absorption and emission spectroscopies and quantum chemical calculations have been employed to investigate spectroscopic properties of a xanthone-type compound (ethyl 3,12-dioxopyran[3,2-a]xanthone-2-carboxylate). The spectroscopic data show good agreement with results obtained from quantum chemical calculations. Additionally, this compound shows expressive quantum efficiency for triplet population and a quantum efficiency of singlet oxygen generation very close to unity. Correlations between the nature of singlet and triplet excited states and spectroscopic properties were performed in order to understand the high quantum efficiency of singlet oxygen generation by this compound.