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Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR Emission: Structural and Photophysical Characterization
[Image: see text] A novel Cu(I) cluster compound has been synthesized by reacting CuI with the 2,2′-dithiobis(5-nitropyridine) ligand under solvothermal conditions. During the reaction, the original ligand breaks into the 5-nitropyridine-2-thiolate moiety, which acts as the coordinating ligand with...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234981/ https://www.ncbi.nlm.nih.gov/pubmed/35774291 http://dx.doi.org/10.1021/acs.jpcc.2c01842 |
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author | Hassanein, Khaled Cappuccino, Chiara Marchini, Marianna Bandini, Elisa Christian, Meganne Morandi, Vittorio Monti, Filippo Maini, Lucia Ventura, Barbara |
author_facet | Hassanein, Khaled Cappuccino, Chiara Marchini, Marianna Bandini, Elisa Christian, Meganne Morandi, Vittorio Monti, Filippo Maini, Lucia Ventura, Barbara |
author_sort | Hassanein, Khaled |
collection | PubMed |
description | [Image: see text] A novel Cu(I) cluster compound has been synthesized by reacting CuI with the 2,2′-dithiobis(5-nitropyridine) ligand under solvothermal conditions. During the reaction, the original ligand breaks into the 5-nitropyridine-2-thiolate moiety, which acts as the coordinating ligand with both N- and S-sites, leading to a distorted octahedral Cu(6)S(6) cluster. The structure has been determined by single-crystal X-ray diffraction and FT-IR analysis, and the photophysical properties have been determined in the solid state by means of steady-state and time-resolved optical techniques. The cluster presents a near-infrared emission showing an unusual temperature dependence: when passing from 77 to 298 K, a blue-shift of the emission band is observed, associated with a decrease in its intensity. Time-dependent-density functional theory calculations suggest that the observed behavior can be ascribed to a complex interplay of excited states, basically in the triplet manifold. |
format | Online Article Text |
id | pubmed-9234981 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-92349812022-06-28 Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR Emission: Structural and Photophysical Characterization Hassanein, Khaled Cappuccino, Chiara Marchini, Marianna Bandini, Elisa Christian, Meganne Morandi, Vittorio Monti, Filippo Maini, Lucia Ventura, Barbara J Phys Chem C Nanomater Interfaces [Image: see text] A novel Cu(I) cluster compound has been synthesized by reacting CuI with the 2,2′-dithiobis(5-nitropyridine) ligand under solvothermal conditions. During the reaction, the original ligand breaks into the 5-nitropyridine-2-thiolate moiety, which acts as the coordinating ligand with both N- and S-sites, leading to a distorted octahedral Cu(6)S(6) cluster. The structure has been determined by single-crystal X-ray diffraction and FT-IR analysis, and the photophysical properties have been determined in the solid state by means of steady-state and time-resolved optical techniques. The cluster presents a near-infrared emission showing an unusual temperature dependence: when passing from 77 to 298 K, a blue-shift of the emission band is observed, associated with a decrease in its intensity. Time-dependent-density functional theory calculations suggest that the observed behavior can be ascribed to a complex interplay of excited states, basically in the triplet manifold. American Chemical Society 2022-06-08 2022-06-23 /pmc/articles/PMC9234981/ /pubmed/35774291 http://dx.doi.org/10.1021/acs.jpcc.2c01842 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Hassanein, Khaled Cappuccino, Chiara Marchini, Marianna Bandini, Elisa Christian, Meganne Morandi, Vittorio Monti, Filippo Maini, Lucia Ventura, Barbara Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR Emission: Structural and Photophysical Characterization |
title | Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR
Emission: Structural and Photophysical Characterization |
title_full | Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR
Emission: Structural and Photophysical Characterization |
title_fullStr | Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR
Emission: Structural and Photophysical Characterization |
title_full_unstemmed | Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR
Emission: Structural and Photophysical Characterization |
title_short | Novel Cu(I)-5-nitropyridine-2-thiol Cluster with NIR
Emission: Structural and Photophysical Characterization |
title_sort | novel cu(i)-5-nitropyridine-2-thiol cluster with nir
emission: structural and photophysical characterization |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9234981/ https://www.ncbi.nlm.nih.gov/pubmed/35774291 http://dx.doi.org/10.1021/acs.jpcc.2c01842 |
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