Theoretical study of lumichrome, 1-methyl-lumichrome and lumiflavin binding ability with thymine
Abstract
Gas-phase geometry and electronic structure of lumichrome, 1-methyl-lumichrome and lumiflavin in the electronic ground state and their excited states were investigated using the Density Functional Theory. Their binding ability with thymine was estimated for model van der Waals dimers with two intermolecular hydrogen bonds. The influence of hydrogen bonds on their photophysical properties was analyzed. Obtained theoretical data were compared with available experimental absorption and fluorescence spectra.
Language: English
Page range: 7 - 13
Published on: Jan 29, 2021
Published by: Slovak University of Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 2 times per year
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© 2021 Denisa Cagardová, Martin Michalík, Vladimír Lukeš, published by Slovak University of Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.