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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ftduzceuniv:oai:acikerisim.duzce.edu.tr:20.500.12684/10191 2023-05-15T17:53:46+02:00 A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation Atahan, Alparslan Atahan, Alparslan 2021 https://hdl.handle.net/20.500.12684/10191 https://doi.org/10.1080/10406638.2020.1871036 eng eng Taylor & Francis Ltd Polycyclic Aromatic Compounds Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı 1040-6638 1563-5333 https://doi.org/10.1080/10406638.2020.1871036 https://hdl.handle.net/20.500.12684/10191 doi:10.1080/10406638.2020.1871036 info:eu-repo/semantics/closedAccess Chalcone electronic parameter pyrene quinoline photophysics article 2021 ftduzceuniv https://doi.org/20.500.12684/10191 https://doi.org/10.1080/10406638.2020.1871036 2022-01-13T17:41:20Z 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 Al3+ and Cr3+) 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. Department of Chemistry, Faculty of Science and Arts of Duzce University The author is thankful to Department of Chemistry, Faculty of Science and Arts of Duzce University for the laboratory facilities and Ahmad B. Musatat for the support in quantum chemical calculations. WOS:000607247900001 2-s2.0-85099420652 Article in Journal/Newspaper Orca Düzce University Institutional Repository (DSpace@Düzce) Polycyclic Aromatic Compounds 1 12 |
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Düzce University Institutional Repository (DSpace@Düzce) |
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ftduzceuniv |
language |
English |
topic |
Chalcone electronic parameter pyrene quinoline photophysics |
spellingShingle |
Chalcone electronic parameter pyrene quinoline photophysics Atahan, Alparslan A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation |
topic_facet |
Chalcone electronic parameter pyrene quinoline photophysics |
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 Al3+ and Cr3+) 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. Department of Chemistry, Faculty of Science and Arts of Duzce University The author is thankful to Department of Chemistry, Faculty of Science and Arts of Duzce University for the laboratory facilities and Ahmad B. Musatat for the support in quantum chemical calculations. WOS:000607247900001 2-s2.0-85099420652 |
author2 |
Atahan, Alparslan |
format |
Article in Journal/Newspaper |
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 Ltd |
publishDate |
2021 |
url |
https://hdl.handle.net/20.500.12684/10191 https://doi.org/10.1080/10406638.2020.1871036 |
genre |
Orca |
genre_facet |
Orca |
op_relation |
Polycyclic Aromatic Compounds Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı 1040-6638 1563-5333 https://doi.org/10.1080/10406638.2020.1871036 https://hdl.handle.net/20.500.12684/10191 doi:10.1080/10406638.2020.1871036 |
op_rights |
info:eu-repo/semantics/closedAccess |
op_doi |
https://doi.org/20.500.12684/10191 https://doi.org/10.1080/10406638.2020.1871036 |
container_title |
Polycyclic Aromatic Compounds |
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12 |
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1766161478237290496 |