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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.
Theoretical Chemistry, Zernike Institute for Advanced Materials, Rijksuniversiteit Groningen, Nijenborgh 4, Groningen 9747AG, The Netherlands.
This article was published in the following journal.
Name: Physical chemistry chemical physics : PCCP
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Dimers found in DNA chains damaged by ULTRAVIOLET RAYS. They consist of two adjacent PYRIMIDINE NUCLEOTIDES, usually THYMINE nucleotides, in which the pyrimidine residues are covalently joined by a cyclobutane ring. These dimers block DNA REPLICATION.
Measurement of the intensity and quality of fluorescence.
An analytical method for detecting and measuring FLUORESCENCE in compounds or targets such as cells, proteins, or nucleotides, or targets previously labeled with FLUORESCENCE AGENTS.
A type of FLUORESCENCE SPECTROSCOPY using two FLUORESCENT DYES with overlapping emission and absorption spectra, which is used to indicate proximity of labeled molecules. This technique is useful for studying interactions of molecules and PROTEIN FOLDING.
The simultaneous identification of all chromosomes from a cell by fluorescence in situ hybridization (IN SITU HYBRIDIZATION, FLUORESCENCE) with chromosome-specific florescent probes that are discerned by their different emission spectra.