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
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
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
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
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
Popis výsledku anglicky
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.
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
<a href="/cs/project/LO1305" target="_blank" >LO1305: Rozvoj centra pokročilých technologií a materiálů</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2018
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
CHEMISTRY-A EUROPEAN JOURNAL
ISSN
0947-6539
e-ISSN
—
Svazek periodika
24
Číslo periodika v rámci svazku
20
Stát vydavatele periodika
DE - Spolková republika Německo
Počet stran výsledku
13
Strana od-do
5191-5203
Kód UT WoS článku
000429703700026
EID výsledku v databázi Scopus
2-s2.0-85039152493