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Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods

During the last few years, a large number of mononuclear Co(ii) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(ii) S = 3/2 tetrahedral [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, complexes (abbreviated as CoO(...

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Autores principales: Ferentinos, Eleftherios, Tzeli, Demeter, Sottini, Silvia, Groenen, Edgar J. J., Ozerov, Mykhaylo, Poneti, Giordano, Kaniewska-Laskowska, Kinga, Krzystek, J., Kyritsis, Panayotis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9926333/
https://www.ncbi.nlm.nih.gov/pubmed/36692040
http://dx.doi.org/10.1039/d2dt03335f
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author Ferentinos, Eleftherios
Tzeli, Demeter
Sottini, Silvia
Groenen, Edgar J. J.
Ozerov, Mykhaylo
Poneti, Giordano
Kaniewska-Laskowska, Kinga
Krzystek, J.
Kyritsis, Panayotis
author_facet Ferentinos, Eleftherios
Tzeli, Demeter
Sottini, Silvia
Groenen, Edgar J. J.
Ozerov, Mykhaylo
Poneti, Giordano
Kaniewska-Laskowska, Kinga
Krzystek, J.
Kyritsis, Panayotis
author_sort Ferentinos, Eleftherios
collection PubMed
description During the last few years, a large number of mononuclear Co(ii) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(ii) S = 3/2 tetrahedral [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, complexes (abbreviated as CoO(2)E(2)), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically, direct current (DC) magnetometry provided estimations of their zero-field splitting (zfs) axial (D) and rhombic (E) parameter values, which were more accurately determined by a combination of far-infrared magnetic spectroscopy and high-frequency and -field EPR spectroscopy studies. The latter combination of techniques was also implemented for the S = 3/2 tetrahedral [Co{(EP(i)Pr(2))(2)N}(2)], E = S, Se, complexes, confirming the previously determined magnitude of their zfs parameters. For both pairs of complexes (E = S, Se), it is concluded that the identity of the E donor atom does not significantly affect their zfs parameters. High-resolution multifrequency EPR studies of CoO(2)E(2) provided evidence of multiple conformations, which are more clearly observed for CoO(2)Se(2), in agreement with the structural disorder previously established for this complex by X-ray crystallography. The CoO(2)E(2) complexes were shown to be field-induced SIMs, i.e., they exhibit slow relaxation of magnetization in the presence of an external DC magnetic field. Advanced quantum-chemical calculations on CoO(2)E(2) provided additional insight into their electronic and structural properties.
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spelling pubmed-99263332023-02-15 Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods Ferentinos, Eleftherios Tzeli, Demeter Sottini, Silvia Groenen, Edgar J. J. Ozerov, Mykhaylo Poneti, Giordano Kaniewska-Laskowska, Kinga Krzystek, J. Kyritsis, Panayotis Dalton Trans Chemistry During the last few years, a large number of mononuclear Co(ii) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(ii) S = 3/2 tetrahedral [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, complexes (abbreviated as CoO(2)E(2)), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically, direct current (DC) magnetometry provided estimations of their zero-field splitting (zfs) axial (D) and rhombic (E) parameter values, which were more accurately determined by a combination of far-infrared magnetic spectroscopy and high-frequency and -field EPR spectroscopy studies. The latter combination of techniques was also implemented for the S = 3/2 tetrahedral [Co{(EP(i)Pr(2))(2)N}(2)], E = S, Se, complexes, confirming the previously determined magnitude of their zfs parameters. For both pairs of complexes (E = S, Se), it is concluded that the identity of the E donor atom does not significantly affect their zfs parameters. High-resolution multifrequency EPR studies of CoO(2)E(2) provided evidence of multiple conformations, which are more clearly observed for CoO(2)Se(2), in agreement with the structural disorder previously established for this complex by X-ray crystallography. The CoO(2)E(2) complexes were shown to be field-induced SIMs, i.e., they exhibit slow relaxation of magnetization in the presence of an external DC magnetic field. Advanced quantum-chemical calculations on CoO(2)E(2) provided additional insight into their electronic and structural properties. The Royal Society of Chemistry 2023-01-24 /pmc/articles/PMC9926333/ /pubmed/36692040 http://dx.doi.org/10.1039/d2dt03335f Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Ferentinos, Eleftherios
Tzeli, Demeter
Sottini, Silvia
Groenen, Edgar J. J.
Ozerov, Mykhaylo
Poneti, Giordano
Kaniewska-Laskowska, Kinga
Krzystek, J.
Kyritsis, Panayotis
Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title_full Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title_fullStr Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title_full_unstemmed Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title_short Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh(2))(EPPh(2))N}(2)], E = S, Se, explored by experimental and computational methods
title_sort magnetic anisotropy and structural flexibility in the field-induced single ion magnets [co{(opph(2))(epph(2))n}(2)], e = s, se, explored by experimental and computational methods
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9926333/
https://www.ncbi.nlm.nih.gov/pubmed/36692040
http://dx.doi.org/10.1039/d2dt03335f
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