A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation
The title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity...
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ftdatacite:10.6084/m9.figshare.13567640 2023-05-15T17:53:43+02:00 A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation Atahan, Alparslan 2021 https://dx.doi.org/10.6084/m9.figshare.13567640 https://tandf.figshare.com/articles/journal_contribution/A_Novel_Polyaromatic_Chalcone_with_Multiple_Functional_Groups_Synthetic_Photophysical_and_Computational_Elucidation/13567640 unknown Taylor & Francis https://dx.doi.org/10.1080/10406638.2020.1871036 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 CC-BY Biophysics Biochemistry Biotechnology 39999 Chemical Sciences not elsewhere classified FOS Chemical sciences Sociology FOS Sociology 69999 Biological Sciences not elsewhere classified FOS Biological sciences Text article-journal Journal contribution ScholarlyArticle 2021 ftdatacite https://doi.org/10.6084/m9.figshare.13567640 https://doi.org/10.1080/10406638.2020.1871036 2021-11-05T12:55:41Z The title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity remarkably increased by aggregation although target compound exhibited lower emission at solution state in common organic solvents. Furthermore, addition of some metal cations (such as Al 3+ and Cr 3+ ) slightly enhanced the emission in acetonitrile/water media in metal sensing studies. Lastly, density-functional theory studies were carried out by ORCA 4.2.0 software ((B3LYP; def2-TZVP basis set) to determine some electronic parameters such as HOMO–LUMO energy, total energy, dipol moment, and bond lengths, etc. Text Orca DataCite Metadata Store (German National Library of Science and Technology) |
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Biophysics Biochemistry Biotechnology 39999 Chemical Sciences not elsewhere classified FOS Chemical sciences Sociology FOS Sociology 69999 Biological Sciences not elsewhere classified FOS Biological sciences |
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Biophysics Biochemistry Biotechnology 39999 Chemical Sciences not elsewhere classified FOS Chemical sciences Sociology FOS Sociology 69999 Biological Sciences not elsewhere classified FOS Biological sciences Atahan, Alparslan A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
topic_facet |
Biophysics Biochemistry Biotechnology 39999 Chemical Sciences not elsewhere classified FOS Chemical sciences Sociology FOS Sociology 69999 Biological Sciences not elsewhere classified FOS Biological sciences |
description |
The title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity remarkably increased by aggregation although target compound exhibited lower emission at solution state in common organic solvents. Furthermore, addition of some metal cations (such as Al 3+ and Cr 3+ ) slightly enhanced the emission in acetonitrile/water media in metal sensing studies. Lastly, density-functional theory studies were carried out by ORCA 4.2.0 software ((B3LYP; def2-TZVP basis set) to determine some electronic parameters such as HOMO–LUMO energy, total energy, dipol moment, and bond lengths, etc. |
format |
Text |
author |
Atahan, Alparslan |
author_facet |
Atahan, Alparslan |
author_sort |
Atahan, Alparslan |
title |
A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
title_short |
A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
title_full |
A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
title_fullStr |
A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
title_full_unstemmed |
A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
title_sort |
novel polyaromatic chalcone with multiple functional groups: synthetic, photophysical, and computational elucidation |
publisher |
Taylor & Francis |
publishDate |
2021 |
url |
https://dx.doi.org/10.6084/m9.figshare.13567640 https://tandf.figshare.com/articles/journal_contribution/A_Novel_Polyaromatic_Chalcone_with_Multiple_Functional_Groups_Synthetic_Photophysical_and_Computational_Elucidation/13567640 |
genre |
Orca |
genre_facet |
Orca |
op_relation |
https://dx.doi.org/10.1080/10406638.2020.1871036 |
op_rights |
Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode cc-by-4.0 |
op_rightsnorm |
CC-BY |
op_doi |
https://doi.org/10.6084/m9.figshare.13567640 https://doi.org/10.1080/10406638.2020.1871036 |
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1766161433681199104 |