Issue 37, 2010
From the journal:

Physical Chemistry Chemical Physics

A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?†

Dani Setiawan,ab   Andranik Kazaryan,a   Muhamad Abdulkadir Martoprawirob  and  Michael Filatov*a  

* Corresponding authors

a Theoretical Chemistry, Zernike Institute for Advanced Materials, Rijksuniversiteit Groningen, Nijenborgh 4, Groningen 9747AG, The Netherlands
E-mail: m.filatov@rug.nl

b Department of Chemistry, Institut Teknologi Bandung, Jalan Ganesha 10, Bandung 40132, Indonesia

Abstract

Rhodamine B (RhB) is widely used in chemistry and biology due to its high fluorescence quantum yield. In high concentrations, the quantum yield of fluorescence decreases considerably which is attributed to the formation of RhB dimers. In the present work, a possible mechanism of fluorescence quenching in RhB dimers is investigated with the use of time-dependent density functional theory (TD-DFT). The excited states of monomeric and dimeric RhB species have been studied both in the gas phase and in solution with the use of the TD-BLYP/6-311G* method. Results of the calculations suggest that quenching can occur via an internal conversion to the charge-transfer singlet excited states, which can be followed by an intersystem crossing with the charge-transfer triplet states. A possibility to reduce the loss of the fluorescence quantum yield is discussed.

Graphical abstract: A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?

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Article information

DOI
https://doi.org/10.1039/C004573J
Article type
Paper
Submitted
22 Mar 2010
Accepted
25 May 2010
First published
30 Jul 2010

Phys. Chem. Chem. Phys., 2010,12, 11238-11244

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A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?

D. Setiawan, A. Kazaryan, M. A. Martoprawiro and M. Filatov, Phys. Chem. Chem. Phys., 2010, 12, 11238 DOI: 10.1039/C004573J

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