Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F23%3APU148464" target="_blank" >RIV/00216305:26620/23:PU148464 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15310/23:73621971

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.cgd.2c01388" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.cgd.2c01388</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.cgd.2c01388" target="_blank" >10.1021/acs.cgd.2c01388</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet

Popis výsledku v původním jazyce

The novel tridentate ligand L (2,6-bis(1-(n-decyl)-1H-benzimidazol-2-yl)pyridine) was used for the synthesis of mononuclear Co(II) complex 1 with the general formula [Co(L)Br2]. A single-crystal X-ray structural investigation confirmed the expected molecular structure, and noncovalent contacts were inspected by a Hirschfeld surface analysis. The electronic structure of square-pyramidal complex 1 contains an orbitally degenerate ground state which predetermines the use of the Griffith-Figgis Hamiltonian for the analysis of magnetic properties. CASSCF-NEVPT2 calculations and far-infrared mag-netic spectroscopy show excellent agreement with the Griffith- Figgis Hamiltonian parameters obtained from the magnetic investigation. The high and negative value of the axial crystal field parameter Delta ax and the calculated g-tensor components suggest the axial magnetic anisotropy of 1. The low-temperature X-band EPR spectra were analyzed within a simplified effective spin-1/2 Hamiltonian to determine effective g-tensor components of the ground Kramers doublet, which agree with the electronic structure predicted within the CASSCF-NEVPT2 theory. An AC magnetic investigation revealed field-supported single-channel slow relaxation of magnetization with maximum relaxation time tau approximate to 28 ms at low temperatures. The comprehensive analysis of the field and temperature evolution of tau indicates that direct, Raman, and Orbach processes are all involved in slow relaxation of magnetization in 1.

Název v anglickém jazyce

Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet

Popis výsledku anglicky

The novel tridentate ligand L (2,6-bis(1-(n-decyl)-1H-benzimidazol-2-yl)pyridine) was used for the synthesis of mononuclear Co(II) complex 1 with the general formula [Co(L)Br2]. A single-crystal X-ray structural investigation confirmed the expected molecular structure, and noncovalent contacts were inspected by a Hirschfeld surface analysis. The electronic structure of square-pyramidal complex 1 contains an orbitally degenerate ground state which predetermines the use of the Griffith-Figgis Hamiltonian for the analysis of magnetic properties. CASSCF-NEVPT2 calculations and far-infrared mag-netic spectroscopy show excellent agreement with the Griffith- Figgis Hamiltonian parameters obtained from the magnetic investigation. The high and negative value of the axial crystal field parameter Delta ax and the calculated g-tensor components suggest the axial magnetic anisotropy of 1. The low-temperature X-band EPR spectra were analyzed within a simplified effective spin-1/2 Hamiltonian to determine effective g-tensor components of the ground Kramers doublet, which agree with the electronic structure predicted within the CASSCF-NEVPT2 theory. An AC magnetic investigation revealed field-supported single-channel slow relaxation of magnetization with maximum relaxation time tau approximate to 28 ms at low temperatures. The comprehensive analysis of the field and temperature evolution of tau indicates that direct, Raman, and Orbach processes are all involved in slow relaxation of magnetization in 1.

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/LTAUSA19060" target="_blank" >LTAUSA19060: Spektroskopie jednomolekulárních magnetů pomocí grafenových bolometrů</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

2023

Kód důvěrnosti údajů

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

Název periodika

Crystal Growth and Design

ISSN

1528-7483

e-ISSN

1528-7505

Svazek periodika

23

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

2430-2441

Kód UT WoS článku

000967977400001

EID výsledku v databázi Scopus

2-s2.0-85149149821