New Candy-Shaped Hexanuclear CoII 2CoIII 2Gd2 Aggregate: Synthesis, Structures, and Magnetic Performance for Magnetocaloric Effect and Theoretical Understanding

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F24%3A73627682" target="_blank" >RIV/61989592:15310/24:73627682 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c00198" target="_blank" >https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c00198</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.cgd.4c00198" target="_blank" >10.1021/acs.cgd.4c00198</a>

Jazyk výsledku

angličtina

Název v původním jazyce

New Candy-Shaped Hexanuclear CoII 2CoIII 2Gd2 Aggregate: Synthesis, Structures, and Magnetic Performance for Magnetocaloric Effect and Theoretical Understanding

Popis výsledku v původním jazyce

The hexanuclear cobalt(II/III)-gadolinium(III) coordination aggregate [(Co2Co2Gd2)-Co-II-Gd-III(L)(2)(mu(3)-OMe)(2)(Me3CCOO)(8)]&lt;middle dot&gt;H2O (1) has been synthesized and characterized, and structural analysis has been performed via single-crystal X-ray diffraction analysis. The bridging and aggregating potential of the deprotonated form of 3-[(2-hydroxy-3-methoxy-benzylidene)-amino]-propane-1,2-diol (H3L) toward cobalt and gadolinium ions was scrutinized during a coordination-driven cleavage of [Co-2(mu-OH2)(O2CCMe3)(4)(HO2CCMe3)(4)] (Co-2-Piv) by Gd(NO3)(3)&lt;middle dot&gt;6H(2)O in methanol and a characteristic rearrangement of pivalate ions from Co-2-Piv only. Thus, atom economy was preserved with respect to the pivalate ions as no outside addition was needed. The Co2Gd2 dicubane core of the aggregate was diagonally capped by two distorted trigonal bipyramid Co-II centers (tau(5) value of 0.617) to provide a unique candy-shaped (Co2Co2Gd2)-Co-II-Gd-III complex. Complex 1 behaves like a paramagnet comprising weak antiferromagnetic exchange between adjacent Co-II and Gd-III ions. The magnetization changes significantly below 10 K depending on the magnetic field and temperature. Complex 1 shows a magnetocaloric effect with the maximum entropy change (-Delta S-m) of 12.75 J kg(-1) K-1 at 3 K for Delta H = 70 kOe. DFT- and CASSCF-based analyses impart detailed insights into the electronic structure and observed magnetic properties. Theoretical calculations corroborate the experimental findings.

Název v anglickém jazyce

New Candy-Shaped Hexanuclear CoII 2CoIII 2Gd2 Aggregate: Synthesis, Structures, and Magnetic Performance for Magnetocaloric Effect and Theoretical Understanding

Popis výsledku anglicky

The hexanuclear cobalt(II/III)-gadolinium(III) coordination aggregate [(Co2Co2Gd2)-Co-II-Gd-III(L)(2)(mu(3)-OMe)(2)(Me3CCOO)(8)]&lt;middle dot&gt;H2O (1) has been synthesized and characterized, and structural analysis has been performed via single-crystal X-ray diffraction analysis. The bridging and aggregating potential of the deprotonated form of 3-[(2-hydroxy-3-methoxy-benzylidene)-amino]-propane-1,2-diol (H3L) toward cobalt and gadolinium ions was scrutinized during a coordination-driven cleavage of [Co-2(mu-OH2)(O2CCMe3)(4)(HO2CCMe3)(4)] (Co-2-Piv) by Gd(NO3)(3)&lt;middle dot&gt;6H(2)O in methanol and a characteristic rearrangement of pivalate ions from Co-2-Piv only. Thus, atom economy was preserved with respect to the pivalate ions as no outside addition was needed. The Co2Gd2 dicubane core of the aggregate was diagonally capped by two distorted trigonal bipyramid Co-II centers (tau(5) value of 0.617) to provide a unique candy-shaped (Co2Co2Gd2)-Co-II-Gd-III complex. Complex 1 behaves like a paramagnet comprising weak antiferromagnetic exchange between adjacent Co-II and Gd-III ions. The magnetization changes significantly below 10 K depending on the magnetic field and temperature. Complex 1 shows a magnetocaloric effect with the maximum entropy change (-Delta S-m) of 12.75 J kg(-1) K-1 at 3 K for Delta H = 70 kOe. DFT- and CASSCF-based analyses impart detailed insights into the electronic structure and observed magnetic properties. Theoretical calculations corroborate the experimental findings.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

CRYSTAL GROWTH &amp; DESIGN

ISSN

1528-7483

e-ISSN

1528-7505

Svazek periodika

24

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

3899-3909

Kód UT WoS článku

001242217000001

EID výsledku v databázi Scopus

2-s2.0-85191992255