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Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory
Small metal complexes are highly interesting for bioimaging because of their excellent near-infrared (NIR) absorption properties. In this study, neutral complexes of platinum(II) connected to two monoreduced 1,3-diisopropylimidazoline-2,4,5-trithione ligands—namely, [Pt(iPr(2)timdt)(2)]—were investi...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9144374/ https://www.ncbi.nlm.nih.gov/pubmed/35630926 http://dx.doi.org/10.3390/nano12101704 |
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author | Luong, Xuan-Hoang Pham, Nguyet N. T. An, Kyoung-Lyong Lee, Seong Uk Kim, Shi Surk Park, Jong S. Lee, Seung Geol |
author_facet | Luong, Xuan-Hoang Pham, Nguyet N. T. An, Kyoung-Lyong Lee, Seong Uk Kim, Shi Surk Park, Jong S. Lee, Seung Geol |
author_sort | Luong, Xuan-Hoang |
collection | PubMed |
description | Small metal complexes are highly interesting for bioimaging because of their excellent near-infrared (NIR) absorption properties. In this study, neutral complexes of platinum(II) connected to two monoreduced 1,3-diisopropylimidazoline-2,4,5-trithione ligands—namely, [Pt(iPr(2)timdt)(2)]—were investigated. Theoretical studies using the density functional theory (DFT) and GW-BSE approximation verified the effects of the geometry of the isopropyl moieties on the NIR absorption spectra. The calculated absorption spectra showed excellent correspondence with the experimental results. The geometry of the isopropyl groups considerably influenced the electronic structures of the metal complexes, which altered the absorption profiles of the respective geometries, as demonstrated in this research. |
format | Online Article Text |
id | pubmed-9144374 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-91443742022-05-29 Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory Luong, Xuan-Hoang Pham, Nguyet N. T. An, Kyoung-Lyong Lee, Seong Uk Kim, Shi Surk Park, Jong S. Lee, Seung Geol Nanomaterials (Basel) Article Small metal complexes are highly interesting for bioimaging because of their excellent near-infrared (NIR) absorption properties. In this study, neutral complexes of platinum(II) connected to two monoreduced 1,3-diisopropylimidazoline-2,4,5-trithione ligands—namely, [Pt(iPr(2)timdt)(2)]—were investigated. Theoretical studies using the density functional theory (DFT) and GW-BSE approximation verified the effects of the geometry of the isopropyl moieties on the NIR absorption spectra. The calculated absorption spectra showed excellent correspondence with the experimental results. The geometry of the isopropyl groups considerably influenced the electronic structures of the metal complexes, which altered the absorption profiles of the respective geometries, as demonstrated in this research. MDPI 2022-05-17 /pmc/articles/PMC9144374/ /pubmed/35630926 http://dx.doi.org/10.3390/nano12101704 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Luong, Xuan-Hoang Pham, Nguyet N. T. An, Kyoung-Lyong Lee, Seong Uk Kim, Shi Surk Park, Jong S. Lee, Seung Geol Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title | Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title_full | Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title_fullStr | Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title_full_unstemmed | Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title_short | Near-Infrared Absorption Properties of Neutral Bis(1,2-dithiolene) Platinum(II) Complexes Using Density Functional Theory |
title_sort | near-infrared absorption properties of neutral bis(1,2-dithiolene) platinum(ii) complexes using density functional theory |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9144374/ https://www.ncbi.nlm.nih.gov/pubmed/35630926 http://dx.doi.org/10.3390/nano12101704 |
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