Elucidation of the effects of trans/cis-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(ii) single-molecule magnets
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F25%3A73633983" target="_blank" >RIV/61989592:15310/25:73633983 - isvavai.cz</a>
Výsledek na webu
<a href="https://pubs.rsc.org/en/content/articlepdf/2025/dt/d5dt01004g" target="_blank" >https://pubs.rsc.org/en/content/articlepdf/2025/dt/d5dt01004g</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d5dt01004g" target="_blank" >10.1039/d5dt01004g</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Elucidation of the effects of trans/cis-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(ii) single-molecule magnets
Popis výsledku v původním jazyce
Two new pseudo-octahedral Co(ii) complexes 1 [Co(neo)2(trans-cin)]ClO4 and 2 [Co(neo)2(cis-cin)]ClO4 with trans and cis-cinnamic acid (Hcin) and neocuproine (neo) as ligands were prepared. Both complexes were characterized via single-crystal X-ray analysis, infrared spectroscopy, magnetic measurements, and EPR spectroscopy. DC magnetic susceptibility measurements revealed large axial magnetic anisotropy with axial zero-field splitting (ZFS) parameters D = 49.9 and 59.5 cm-1 and rhombicity E/D = 0.307 and 0.147 for 1 and 2, respectively. These results were in accordance with CASSCF/NEVPT2 calculations. AC magnetic data showed the presence of slow relaxation of magnetization for both compounds in the applied DC field. UV irradiation studies in solution show that the complexes most likely undergo trans/cis photoisomerisation, which is, however, accompanied by side reactions and degradation. This was elucidated further utilizing DFT and TD-DFT calculations.
Název v anglickém jazyce
Elucidation of the effects of trans/cis-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(ii) single-molecule magnets
Popis výsledku anglicky
Two new pseudo-octahedral Co(ii) complexes 1 [Co(neo)2(trans-cin)]ClO4 and 2 [Co(neo)2(cis-cin)]ClO4 with trans and cis-cinnamic acid (Hcin) and neocuproine (neo) as ligands were prepared. Both complexes were characterized via single-crystal X-ray analysis, infrared spectroscopy, magnetic measurements, and EPR spectroscopy. DC magnetic susceptibility measurements revealed large axial magnetic anisotropy with axial zero-field splitting (ZFS) parameters D = 49.9 and 59.5 cm-1 and rhombicity E/D = 0.307 and 0.147 for 1 and 2, respectively. These results were in accordance with CASSCF/NEVPT2 calculations. AC magnetic data showed the presence of slow relaxation of magnetization for both compounds in the applied DC field. UV irradiation studies in solution show that the complexes most likely undergo trans/cis photoisomerisation, which is, however, accompanied by side reactions and degradation. This was elucidated further utilizing DFT and TD-DFT calculations.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10402 - Inorganic and nuclear chemistry
Návaznosti výsledku
Projekt
—
Návaznosti
S - Specificky vyzkum na vysokych skolach
Ostatní
Rok uplatnění
2025
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Dalton Transactions
ISSN
1477-9226
e-ISSN
1477-9234
Svazek periodika
54
Číslo periodika v rámci svazku
25
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
10
Strana od-do
10140-10149
Kód UT WoS článku
001505485600001
EID výsledku v databázi Scopus
2-s2.0-105007699652