Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F18%3A73591668" target="_blank" >RIV/61989592:15310/18:73591668 - isvavai.cz</a>
Result on the web
<a href="https://onlinelibrary.wiley.com/doi/epdf/10.1002/chem.201704546" target="_blank" >https://onlinelibrary.wiley.com/doi/epdf/10.1002/chem.201704546</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/chem.201704546" target="_blank" >10.1002/chem.201704546</a>
Alternative languages
Result language
angličtina
Original language name
Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands
Original language description
A series of novel iron(III) complexes of the general formula [Fe(L)X] (where L is a dianion of pentadentate Schiff base ligand N,N '-bis({2-hydroxy-3,5-dimethylphenyl}phenyl)methylidene-1,6-diamino-3-azapentane=H(2)L1 for 1 and 2; N,N '-bis({2-hydroxy-3-ethoxyphenyl}methylidene)-1,6-diamino-3-azapentane=H(2)L2 for 3 and 3 center dot C3H6O) and X is terminal pseudohalido ligand (X=N-3 for 1, X=NCS for 2, and X=NCSe for 3 and 3 center dot C3H6O) were synthesized and thoroughly characterized. Magnetic measurements revealed the above room temperature spin crossover for isomorphic complexes 1 and 2 (T-1/2=441K and T-1/2=435K, respectively), whereas the solvent-free complex 3 showed a half complete spin crossover (T-1/2=250K), which was detected by variable temperature crystallography as well. On the other hand, solvated complex 3 center dot C3H6O exhibited permanent high spin state behaviour and either recrystallization or in situ thermal desolvation converts 3 center dot C3H6O to solvent-free and spin-crossover-active form 3. Magnetic properties of all the reported complexes were also supported by EPR spectroscopy experiments and in addition, DFT and ab initio calculations were employed for the evaluation of the g-factor and zero field splitting parameters.
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
<a href="/en/project/LO1305" target="_blank" >LO1305: Development of the center of advanced technologies and materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
CHEMISTRY-A EUROPEAN JOURNAL
ISSN
0947-6539
e-ISSN
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Volume of the periodical
24
Issue of the periodical within the volume
20
Country of publishing house
DE - GERMANY
Number of pages
13
Pages from-to
5191-5203
UT code for WoS article
000429703700026
EID of the result in the Scopus database
2-s2.0-85039152493