Pentacoordinate cobalt(ii) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F22%3APU143432" target="_blank" >RIV/00216305:26620/22:PU143432 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1039/D1QI01350E" target="_blank" >http://dx.doi.org/10.1039/D1QI01350E</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/D1QI01350E" target="_blank" >10.1039/D1QI01350E</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Pentacoordinate cobalt(ii) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

Popis výsledku v původním jazyce

Four pentacoordinate complexes, 1–4, of the type [Co(L1)X2] and [Co(L2)X2] (where L1 = 2,6-bis(1-octyl-1H-benzimidazol-2-yl)pyridine for 1 and 2, L2 = 2,6-bis(1-dodecyl-1H-benzimidazol-2-yl)-pyridine for 3 and 4; X = Cl− for 1 and 3, X = Br− for 2 and 4) have been synthesized, and their structures have been determined by X-ray analysis. The DC magnetic investigation confirmed the high-spin and anisotropic behavior of the metal centers of the reported compounds, and magnetic data were analyzed with respect to the spin Hamiltonian and the Griffith–Figgis Hamiltonian. CASSCF-NEVPT2 analysis enabled us to identify triaxial magnetic anisotropy for 1 and 2 and axial anisotropy for 3 and 4, and we discuss thoroughly the relationship between geometry and orbital ordering. The g-tensor components of the ground Kramers doublet extracted from EPR spectroscopy are compatible with this prediction of magnetic anisotropy. Simulated FIRMS experimental data of 2, 3 and 4 show very good agreement with theoretical calculations and provide precise values of zero-field splitting. The AC susceptibility measurements confirmed that the reported complexes were field-induced single-ion magnets. The slow relaxation of magnetization in 1 and 2 is mediated through two relaxation channels that are unusually close to each other. On the other hand, complexes 3 and 4 show the single-channel relaxation of magnetization, and their isostructural characteristic allowed us to study the relaxation changes caused solely by the replacement of terminal halido ligands. Finally, a wet lithographic technique has been used to evaluate both the processability of the complexes in solution and the preparation of microstructured films.

Název v anglickém jazyce

Pentacoordinate cobalt(ii) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

Popis výsledku anglicky

Four pentacoordinate complexes, 1–4, of the type [Co(L1)X2] and [Co(L2)X2] (where L1 = 2,6-bis(1-octyl-1H-benzimidazol-2-yl)pyridine for 1 and 2, L2 = 2,6-bis(1-dodecyl-1H-benzimidazol-2-yl)-pyridine for 3 and 4; X = Cl− for 1 and 3, X = Br− for 2 and 4) have been synthesized, and their structures have been determined by X-ray analysis. The DC magnetic investigation confirmed the high-spin and anisotropic behavior of the metal centers of the reported compounds, and magnetic data were analyzed with respect to the spin Hamiltonian and the Griffith–Figgis Hamiltonian. CASSCF-NEVPT2 analysis enabled us to identify triaxial magnetic anisotropy for 1 and 2 and axial anisotropy for 3 and 4, and we discuss thoroughly the relationship between geometry and orbital ordering. The g-tensor components of the ground Kramers doublet extracted from EPR spectroscopy are compatible with this prediction of magnetic anisotropy. Simulated FIRMS experimental data of 2, 3 and 4 show very good agreement with theoretical calculations and provide precise values of zero-field splitting. The AC susceptibility measurements confirmed that the reported complexes were field-induced single-ion magnets. The slow relaxation of magnetization in 1 and 2 is mediated through two relaxation channels that are unusually close to each other. On the other hand, complexes 3 and 4 show the single-channel relaxation of magnetization, and their isostructural characteristic allowed us to study the relaxation changes caused solely by the replacement of terminal halido ligands. Finally, a wet lithographic technique has been used to evaluate both the processability of the complexes in solution and the preparation of microstructured films.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Inorganic Chemistry Frontiers

ISSN

2052-1553

e-ISSN

—

Svazek periodika

9

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

16

Strana od-do

1179-1194

Kód UT WoS článku

000751923900001

EID výsledku v databázi Scopus

2-s2.0-85127680981