Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F17%3A73583686" target="_blank" >RIV/61989592:15310/17:73583686 - isvavai.cz</a>

Výsledek na webu

<a href="http://pubs.rsc.org/en/content/articlepdf/2017/nj/c7nj02281f" target="_blank" >http://pubs.rsc.org/en/content/articlepdf/2017/nj/c7nj02281f</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c7nj02281f" target="_blank" >10.1039/c7nj02281f</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue

Popis výsledku v původním jazyce

Two isostructural tetranuclear M(II)(4) complexes with the general formula [M-4(L)(4)(CH3OH)(2)] were prepared by the reaction of M(CH3COO)(2)center dot 4H(2)O and H2L in the presence of Pr3N (M = Ni in 1, Co in 2, H2L = 2-{(E)-[(2-hydroxyphenyl)imino]methyl} phenol, Pr3N = tripropylamine). The crystal structure of 1 was determined by single-crystal X-ray diffraction and it was revealed that it possesses the defective dicubane {Ni4O6}(2-) core with two penta-and two hexacoordinate Ni atoms. The isostructurality of both complexes was confirmed by powder X-ray diffraction measurements. The analysis of the static magnetic data revealed that the prevailing antiferromagnetic interaction leads to the diamagnetic ground state in 1, whereas the ferromagnetic interactions dominate in 2. The analysis of magnetic data was supported by broken-symmetry DFT and CASSCF/NEVPT2 calculations, where the latter disclosed large magnetic anisotropy in both compounds. Moreover, the measurements of ac susceptibility in the zero-applied magnetic field confirmed the presence of slow-relaxation of magnetization in 2 and thus, this compound behaves as a single-molecule magnet.

Název v anglickém jazyce

Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue

Popis výsledku anglicky

Two isostructural tetranuclear M(II)(4) complexes with the general formula [M-4(L)(4)(CH3OH)(2)] were prepared by the reaction of M(CH3COO)(2)center dot 4H(2)O and H2L in the presence of Pr3N (M = Ni in 1, Co in 2, H2L = 2-{(E)-[(2-hydroxyphenyl)imino]methyl} phenol, Pr3N = tripropylamine). The crystal structure of 1 was determined by single-crystal X-ray diffraction and it was revealed that it possesses the defective dicubane {Ni4O6}(2-) core with two penta-and two hexacoordinate Ni atoms. The isostructurality of both complexes was confirmed by powder X-ray diffraction measurements. The analysis of the static magnetic data revealed that the prevailing antiferromagnetic interaction leads to the diamagnetic ground state in 1, whereas the ferromagnetic interactions dominate in 2. The analysis of magnetic data was supported by broken-symmetry DFT and CASSCF/NEVPT2 calculations, where the latter disclosed large magnetic anisotropy in both compounds. Moreover, the measurements of ac susceptibility in the zero-applied magnetic field confirmed the presence of slow-relaxation of magnetization in 2 and thus, this compound behaves as a single-molecule magnet.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

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)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

New Journal of Chemistry

ISSN

1144-0546

e-ISSN

—

Svazek periodika

41

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

11258-11267

Kód UT WoS článku

000411768600083

EID výsledku v databázi Scopus

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