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
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
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
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Dalton Transactions
ISSN
1477-9226
e-ISSN
1477-9234
Volume of the periodical
54
Issue of the periodical within the volume
25
Country of publishing house
GB - UNITED KINGDOM
Number of pages
10
Pages from-to
10140-10149
UT code for WoS article
001505485600001
EID of the result in the Scopus database
2-s2.0-105007699652