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Singlet oxygen generation properties of isometrically dibromated thienyl-containing aza-BODIPYs

Xin-Dong Jiang Shuang Li Boris Le Guennic 1 Denis Jacquemin 2, 3 Daniel Escudero 3 Linjiu Xiao
1 ISCR - Institut des Sciences Chimiques de Rennes
2 IUF - Institut Universitaire de France
3 CEISAM - Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation
Abstract : Isometrically dibromated thienyl-containing aza-BODIPYs CDB-1 and BDB-2 with potential use as photosensitizers (PSs) were successfully prepared and their photophysical properties were fully characterized. Singlet oxygen generation experiments were also performed. In this regard, PS CDB-1 was found to be more effective and had about two-fold rate enhancement compared to PS BDB-2. DFT and TD-DFT calculations helped to provide insights into the distinct intersystem crossing (ISC) processes observed for CDB-1 and BDB-2.
Keywords : molecule thiophene chemistry fluorescent dyes efficient photosensitizers td-dft excited-states photodynamic therapy density-functional theory
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Journal articles
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01438113
Contributor : Laurent Jonchère <>
Submitted on : Tuesday, January 17, 2017 - 2:49:53 PM
Last modification on : Friday, July 10, 2020 - 4:10:03 PM

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ISCR | UNIV-RENNES1 | CNRS | UNIV-NANTES | ISCR-CTI | UR1-UFR-SPM | INC-CNRS | UNIV-RENNES | INSA-GROUPE | INSA-RENNES

Citation

Xin-Dong Jiang, Shuang Li, Boris Le Guennic, Denis Jacquemin, Daniel Escudero, et al.. Singlet oxygen generation properties of isometrically dibromated thienyl-containing aza-BODIPYs. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (48), pp.32686--32690. ⟨10.1039/c6cp05705e⟩. ⟨hal-01438113⟩

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