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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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