Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet
The result's identifiers
Result code in 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>
Alternative codes found
RIV/61989592:15310/23:73621971
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/LTAUSA19060" target="_blank" >LTAUSA19060: Spectroscopy of Single-Molecule Magnets Using Graphene-Based Bolometers</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Crystal Growth and Design
ISSN
1528-7483
e-ISSN
1528-7505
Volume of the periodical
23
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
2430-2441
UT code for WoS article
000967977400001
EID of the result in the Scopus database
2-s2.0-85149149821