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Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes
We perform a thorough study of the ground state magnetic properties of nickel-based [Formula: see text] complexes. This includes an in-depth analysis of the contribution of the crystal field, spin exchange and spin–orbit interactions to the ground state magnetic properties. Of particular interest to...
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/PMC9784865/ https://www.ncbi.nlm.nih.gov/pubmed/36558020 http://dx.doi.org/10.3390/molecules27248887 |
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author | Georgiev, Miroslav Chamati, Hassan |
author_facet | Georgiev, Miroslav Chamati, Hassan |
author_sort | Georgiev, Miroslav |
collection | PubMed |
description | We perform a thorough study of the ground state magnetic properties of nickel-based [Formula: see text] complexes. This includes an in-depth analysis of the contribution of the crystal field, spin exchange and spin–orbit interactions to the ground state magnetic properties. Of particular interest to the current investigation are the presence and occurrence of non-trivial zero-field splitting. The study focuses on the cases of Ni [Formula: see text] ideal octahedral, trigonal bipyramidal, square planar and tetrahedral geometries. We provide results for the complete energy spectrum, the fine structure related to the ground state and the second set of excited states, low-field magnetic susceptibility and magnetization. In addition, we examine the zero-field fine structure in square pyramidal, trigonal pyramidal and trigonal planar complexes. The obtained results unequivocally show that a moderate or highly coordinated [Formula: see text] complex can neither exhibit spin–orbit-driven large and giant magnetic anisotropy nor a huge zero-field splitting. Moreover, in the trigonal bipyramidal coordination, a fine structure associated to the ground state cannot result from the spin-orbit coupling alone. |
format | Online Article Text |
id | pubmed-9784865 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-97848652022-12-24 Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes Georgiev, Miroslav Chamati, Hassan Molecules Article We perform a thorough study of the ground state magnetic properties of nickel-based [Formula: see text] complexes. This includes an in-depth analysis of the contribution of the crystal field, spin exchange and spin–orbit interactions to the ground state magnetic properties. Of particular interest to the current investigation are the presence and occurrence of non-trivial zero-field splitting. The study focuses on the cases of Ni [Formula: see text] ideal octahedral, trigonal bipyramidal, square planar and tetrahedral geometries. We provide results for the complete energy spectrum, the fine structure related to the ground state and the second set of excited states, low-field magnetic susceptibility and magnetization. In addition, we examine the zero-field fine structure in square pyramidal, trigonal pyramidal and trigonal planar complexes. The obtained results unequivocally show that a moderate or highly coordinated [Formula: see text] complex can neither exhibit spin–orbit-driven large and giant magnetic anisotropy nor a huge zero-field splitting. Moreover, in the trigonal bipyramidal coordination, a fine structure associated to the ground state cannot result from the spin-orbit coupling alone. MDPI 2022-12-14 /pmc/articles/PMC9784865/ /pubmed/36558020 http://dx.doi.org/10.3390/molecules27248887 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 Georgiev, Miroslav Chamati, Hassan Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title | Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title_full | Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title_fullStr | Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title_full_unstemmed | Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title_short | Fine Structure and the Huge Zero-Field Splitting in Ni(2+) Complexes |
title_sort | fine structure and the huge zero-field splitting in ni(2+) complexes |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9784865/ https://www.ncbi.nlm.nih.gov/pubmed/36558020 http://dx.doi.org/10.3390/molecules27248887 |
work_keys_str_mv | AT georgievmiroslav finestructureandthehugezerofieldsplittinginni2complexes AT chamatihassan finestructureandthehugezerofieldsplittinginni2complexes |