Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones

Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(I...

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Autores principales: Chiyindiko, Emmie, Langner, Ernst H. G., Conradie, Jeanet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9503792/
https://www.ncbi.nlm.nih.gov/pubmed/36144769
http://dx.doi.org/10.3390/molecules27186033
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author Chiyindiko, Emmie
Langner, Ernst H. G.
Conradie, Jeanet
author_facet Chiyindiko, Emmie
Langner, Ernst H. G.
Conradie, Jeanet
author_sort Chiyindiko, Emmie
collection PubMed
description Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(II) complexes under study. The findings provide new insight into the designing and screening of high-performance dyes for dye-sensitized solar cells (DSSCs).
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spelling pubmed-95037922022-09-24 Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones Chiyindiko, Emmie Langner, Ernst H. G. Conradie, Jeanet Molecules Article Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(II) complexes under study. The findings provide new insight into the designing and screening of high-performance dyes for dye-sensitized solar cells (DSSCs). MDPI 2022-09-16 /pmc/articles/PMC9503792/ /pubmed/36144769 http://dx.doi.org/10.3390/molecules27186033 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
Chiyindiko, Emmie
Langner, Ernst H. G.
Conradie, Jeanet
Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title_full Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title_fullStr Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title_full_unstemmed Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title_short Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
title_sort spectroscopic behaviour of copper(ii) complexes containing 2-hydroxyphenones
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9503792/
https://www.ncbi.nlm.nih.gov/pubmed/36144769
http://dx.doi.org/10.3390/molecules27186033
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