Multifrequency EPR, SQUID, and DFT Study of Cupric Ions and Their Magnetic Coupling in the Metal-Organic Framework Compound ∞ 3[Cu(prz-trz-ia)]
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F18%3APU129905" target="_blank" >RIV/00216305:26620/18:PU129905 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jpcc.8b08327" target="_blank" >http://dx.doi.org/10.1021/acs.jpcc.8b08327</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.8b08327" target="_blank" >10.1021/acs.jpcc.8b08327</a>
Alternative languages
Result language
angličtina
Original language name
Multifrequency EPR, SQUID, and DFT Study of Cupric Ions and Their Magnetic Coupling in the Metal-Organic Framework Compound ∞ 3[Cu(prz-trz-ia)]
Original language description
Multifrequency electron paramagnetic resonance (EPR) spectroscopy, magnetic susceptibility measurements, and density functional theory (DFT) have been employed to characterize the magnetic properties of Cu2+ ions and their magnetic interactions in the porous metal-organic framework compound ∞ 3 [Cu(prz-trz-ia)]. Two distinct cupric ion species were found to contribute to the overall magnetic susceptibility of the polycrystalline material. The majority of the copper ions forms antiferromagnetically coupled ion pairs located at framework sites in the dinuclear metal ion units of this coordination polymer. Their theoretically computed isotropic intrapair exchange coupling constant J1 = -26 cm-1 is in excellent agreement with experimentally determined exchange coupling. Besides the metal ion pairs, a part of the copper in this material is present as agglomerates of additional framework ions.
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
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C (print)
ISSN
1932-7447
e-ISSN
1932-7455
Volume of the periodical
122
Issue of the periodical within the volume
46
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
26642-26651
UT code for WoS article
000451495600039
EID of the result in the Scopus database
2-s2.0-85056495738