Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F21%3A73609432" target="_blank" >RIV/61989592:15310/21:73609432 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0020169321002802" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0020169321002802</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ica.2021.120524" target="_blank" >10.1016/j.ica.2021.120524</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies

Popis výsledku v původním jazyce

The Schiff base ligand, 2-(((2-hydroxybenzyl)imino)methyl)phenol (H2L) having ONO donor centres are utilized to synthesize {Ni4Dy3} coordination aggregate following the support of six benzoate bridging groups. Sequential addition of Dy(NO3)3.6H(2)O and NiCl2.6H2O to H2L followed by PhCO2Na completes the coordination driven aggregation of heptanuclear Na[Ni4Dy3(L)4(mu(3)-OH)(4)(mu 1,1,3,3-PhCO2)(2)(mu 1,3-PhCO2)(4)(CH3OH)(4)]center dot CH2Cl2.9H(2)O (1) having 2,3,6M7 - 1 topology. Two adjacent perpendicular inverse Ni2Dy2 partial di-cubane units sharing a common vertex through the central DyIII ion resulted a new structural arrangement within the Ni - Dy family of coordination aggregates. The complex shows no slow magnetic relaxation under zero applied fields and only shows a very weak field dependent magnetization. The DFT calculations revealed weak ferromagnetic exchange between benzoato-bridged NiII ions, whereas the CASSCF calculations were used to identify magnetic anisotropy in NiII and DyIII ions resulting in low-lying excited states of DyIII ions with significant probability for the quantum tunneling of the magnetization, which rationalize the observed fast dynamics in the magnetic properties.

Název v anglickém jazyce

Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies

Popis výsledku anglicky

The Schiff base ligand, 2-(((2-hydroxybenzyl)imino)methyl)phenol (H2L) having ONO donor centres are utilized to synthesize {Ni4Dy3} coordination aggregate following the support of six benzoate bridging groups. Sequential addition of Dy(NO3)3.6H(2)O and NiCl2.6H2O to H2L followed by PhCO2Na completes the coordination driven aggregation of heptanuclear Na[Ni4Dy3(L)4(mu(3)-OH)(4)(mu 1,1,3,3-PhCO2)(2)(mu 1,3-PhCO2)(4)(CH3OH)(4)]center dot CH2Cl2.9H(2)O (1) having 2,3,6M7 - 1 topology. Two adjacent perpendicular inverse Ni2Dy2 partial di-cubane units sharing a common vertex through the central DyIII ion resulted a new structural arrangement within the Ni - Dy family of coordination aggregates. The complex shows no slow magnetic relaxation under zero applied fields and only shows a very weak field dependent magnetization. The DFT calculations revealed weak ferromagnetic exchange between benzoato-bridged NiII ions, whereas the CASSCF calculations were used to identify magnetic anisotropy in NiII and DyIII ions resulting in low-lying excited states of DyIII ions with significant probability for the quantum tunneling of the magnetization, which rationalize the observed fast dynamics in the magnetic properties.

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

2021

Kód důvěrnosti údajů

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

Název periodika

INORGANICA CHIMICA ACTA

ISSN

0020-1693

e-ISSN

—

Svazek periodika

526

Číslo periodika v rámci svazku

OCT

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

"120524-1"-"120524-10"

Kód UT WoS článku

000704392300002

EID výsledku v databázi Scopus

2-s2.0-85111297326