Heteronuclear Iron(III)-Schiff Base Complexes with the Hexacyanidocobaltate(III) Anion: On the Quest To Understand the Governing Factors of Spin Crossover
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73603244" target="_blank" >RIV/61989592:15310/20:73603244 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/00216305:26620/20:PU136399
Výsledek na webu
<a href="https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b03097" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b03097</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.9b03097" target="_blank" >10.1021/acs.inorgchem.9b03097</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Heteronuclear Iron(III)-Schiff Base Complexes with the Hexacyanidocobaltate(III) Anion: On the Quest To Understand the Governing Factors of Spin Crossover
Popis výsledku v původním jazyce
Two heteronuclear compounds (1 and 2) containing three ferric centers linked in facial-like mode with the magnetically silent hexacyanidocobaltate(III) anion were prepared and studied. The structural investigation revealed that both compounds are tetranuclear complexes with molecular formulas of [{Fe(L1)NC}(3)Co(CN)(3)]center dot 2CH(3) OH center dot 2.5CH(3)CN (1) and [{Fe(L2)NC}(3)Co(CN)(3)]center dot 2H(2)O center dot]CH3OH (2). The magnetic properties of both complexes are controlled by the molecular design of the corresponding pentadentate Schiff base anions L1(2-) and L2(2-). While compound 2 with a symmetric ligand prepared from salicylaldehyde shows high-spin state properties, compound 1 containing the asymmetric ligand with naphthalene units either is low-spin in its solvated form or shows a gradual but hysteretic spin crossover event when desolvated. The magnetic behavior was analyzed with respect to the Ising-like model and spin Hamiltonian, respectively, and the results were confronted with ab initio calculations. Additionally, the influence of structural features, lattice solvent molecules, the distribution of electronic terms, and active orbitals on the spin state properties of reported complexes is discussed.
Název v anglickém jazyce
Heteronuclear Iron(III)-Schiff Base Complexes with the Hexacyanidocobaltate(III) Anion: On the Quest To Understand the Governing Factors of Spin Crossover
Popis výsledku anglicky
Two heteronuclear compounds (1 and 2) containing three ferric centers linked in facial-like mode with the magnetically silent hexacyanidocobaltate(III) anion were prepared and studied. The structural investigation revealed that both compounds are tetranuclear complexes with molecular formulas of [{Fe(L1)NC}(3)Co(CN)(3)]center dot 2CH(3) OH center dot 2.5CH(3)CN (1) and [{Fe(L2)NC}(3)Co(CN)(3)]center dot 2H(2)O center dot]CH3OH (2). The magnetic properties of both complexes are controlled by the molecular design of the corresponding pentadentate Schiff base anions L1(2-) and L2(2-). While compound 2 with a symmetric ligand prepared from salicylaldehyde shows high-spin state properties, compound 1 containing the asymmetric ligand with naphthalene units either is low-spin in its solvated form or shows a gradual but hysteretic spin crossover event when desolvated. The magnetic behavior was analyzed with respect to the Ising-like model and spin Hamiltonian, respectively, and the results were confronted with ab initio calculations. Additionally, the influence of structural features, lattice solvent molecules, the distribution of electronic terms, and active orbitals on the spin state properties of reported complexes is discussed.
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/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2020
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
INORGANIC CHEMISTRY
ISSN
0020-1669
e-ISSN
—
Svazek periodika
59
Číslo periodika v rámci svazku
5
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
11
Strana od-do
2747-2757
Kód UT WoS článku
000518088800017
EID výsledku v databázi Scopus
2-s2.0-85079755417