Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate Co-II Compound [Co(CH3-im)(2)Cl-2]

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F17%3A73583776" target="_blank" >RIV/61989592:15310/17:73583776 - isvavai.cz</a>

Výsledek na webu

<a href="http://www.mdpi.com/1996-1944/10/3/249/htm" target="_blank" >http://www.mdpi.com/1996-1944/10/3/249/htm</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/ma10030249" target="_blank" >10.3390/ma10030249</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate Co-II Compound [Co(CH3-im)(2)Cl-2]

Popis výsledku v původním jazyce

Static and dynamic magnetic properties of the tetracoordinate Co-II complex [Co(CH3-im)(2)Cl-2], ( 1, CH3-im = N-methyl-imidazole), studied using thorough analyses of magnetometry, and High-Frequency and -Field EPR (HFEPR) measurements, are reported. The study was supported by ab initio complete active space self-consistent field (CASSCF) calculations. It has been revealed that 1 possesses a large magnetic anisotropy with a large rhombicity (magnetometry: D = -13.5 cm(-1), E/D = 0.33; HFEPR: D = 14.5(1) cm(-1), E/D = 0.16(1)). These experimental results agree well with the theoretical calculations (D = -11.2 cm(-1), E/D = 0.18). Furthermore, it has been revealed that 1 behaves as a field-induced single-ion magnet with a relatively large spin-reversal barrier (U-eff = 33.5 K). The influence of the Cl-Co-Cl angle on magnetic anisotropy parameters was evaluated using the CASSCF calculations.

Název v anglickém jazyce

Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate Co-II Compound [Co(CH3-im)(2)Cl-2]

Popis výsledku anglicky

Static and dynamic magnetic properties of the tetracoordinate Co-II complex [Co(CH3-im)(2)Cl-2], ( 1, CH3-im = N-methyl-imidazole), studied using thorough analyses of magnetometry, and High-Frequency and -Field EPR (HFEPR) measurements, are reported. The study was supported by ab initio complete active space self-consistent field (CASSCF) calculations. It has been revealed that 1 possesses a large magnetic anisotropy with a large rhombicity (magnetometry: D = -13.5 cm(-1), E/D = 0.33; HFEPR: D = 14.5(1) cm(-1), E/D = 0.16(1)). These experimental results agree well with the theoretical calculations (D = -11.2 cm(-1), E/D = 0.18). Furthermore, it has been revealed that 1 behaves as a field-induced single-ion magnet with a relatively large spin-reversal barrier (U-eff = 33.5 K). The influence of the Cl-Co-Cl angle on magnetic anisotropy parameters was evaluated using the CASSCF calculations.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Materials

ISSN

1996-1944

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

14

Strana od-do

1-14

Kód UT WoS článku

000400863500032

EID výsledku v databázi Scopus

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