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Examining solvent effects on the ultrafast dynamics of catechol
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Turner, M. A. P., Turner, R. J., Horbury, Michael D., Hine, Nicholas and Stavros, Vasilios G. (2019) Examining solvent effects on the ultrafast dynamics of catechol. The Journal of Chemical Physics, 151 (8). 084305. doi:10.1063/1.5116312 ISSN 0021-9606.
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Official URL: http://dx.doi.org/10.1063/1.5116312
Abstract
We consider the effect of a polar, hydrogen bond accepting, solvent environment on the excited state decay of catechol following excitation to its first excited singlet state (S1). A comparison of Fourier transform infrared spectroscopy and explicit-solvent ab initio frequency prediction suggests that 5 mM catechol in acetonitrile is both nonaggregated and in its “closed” conformation, contrary to what has been previously proposed. Using ultrafast transient absorption spectroscopy, we then demonstrate the effects of aggregation on the photoexcited S1 lifetime: at 5 mM catechol (nonaggregated) in acetonitrile, the S1 lifetime is 713 ps. In contrast at 75 mM catechol in acetonitrile, the S1 lifetime increases to 1700 ps. We attribute this difference to aggregation effects on the excited-state landscape. This work has shown that explicit-solvent methodology is key when calculating the vibrational frequencies of molecules in a strongly interacting solvent. Combining this with highly complementary steady-state and transient absorption spectroscopy enables us to gain key dynamical insights into how a prominent eumelanin building block behaves when in polar, hydrogen bond accepting solvents both as a monomer and as an aggregated species.
Item Type: | Journal Article | |||||||||||||||||||||
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Subjects: | Q Science > QD Chemistry Q Science > QP Physiology |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Library of Congress Subject Headings (LCSH): | Catechol , Catechol -- Synthesis, Catechol -- Deterioration, Fourier transform infrared spectroscopy | |||||||||||||||||||||
Journal or Publication Title: | The Journal of Chemical Physics | |||||||||||||||||||||
Publisher: | American Institute of Physics | |||||||||||||||||||||
ISSN: | 0021-9606 | |||||||||||||||||||||
Official Date: | 27 August 2019 | |||||||||||||||||||||
Dates: |
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Volume: | 151 | |||||||||||||||||||||
Number: | 8 | |||||||||||||||||||||
Article Number: | 084305 | |||||||||||||||||||||
DOI: | 10.1063/1.5116312 | |||||||||||||||||||||
Status: | Peer Reviewed | |||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||
Date of first compliant deposit: | 2 September 2019 | |||||||||||||||||||||
Date of first compliant Open Access: | 2 September 2019 | |||||||||||||||||||||
RIOXX Funder/Project Grant: |
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