Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
A Synergy and Struggle of EPR, Magnetometry and NMR : A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. / Pavlov, Alexander A.; Nehrkorn, Joscha; Zubkevich, Sergey V. и др.
в: Inorganic Chemistry, Том 59, № 15, 03.08.2020, стр. 10746-10755.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - A Synergy and Struggle of EPR, Magnetometry and NMR
T2 - A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex
AU - Pavlov, Alexander A.
AU - Nehrkorn, Joscha
AU - Zubkevich, Sergey V.
AU - Fedin, Matvey V.
AU - Holldack, Karsten
AU - Schnegg, Alexander
AU - Novikov, Valentin V.
N1 - Publisher Copyright: Copyright © 2020 American Chemical Society. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/8/3
Y1 - 2020/8/3
N2 - Herein, we combine for the first time SQUID magnetometry, cw-EPR, THz-EPR, and paramagnetic NMR spectroscopies to study the magnetic properties of a high-spin cobalt(II) heteroscorpionate complex. Complementary information provided by these methods allowed precise determination of the magnetic interaction parameters, thereby removing the ambiguity inherit to single-method studies. We systematically investigate the extent to which information about the magnetic interaction parameters can be deduced from reduced data sets. The detailed study revealed significant different magnetic properties in solid state and solution. To further exploit the information content of the solution NMR experimental results, we introduce the new concept of reduced paramagnetic shift. It allows for the determination of the magnetic axes and, subsequently, full NMR signal assignment. It is shown that even in complicated cases, in which common NMR analytics (integral intensities, relaxation factors, etc.) fail, it yields robust results.
AB - Herein, we combine for the first time SQUID magnetometry, cw-EPR, THz-EPR, and paramagnetic NMR spectroscopies to study the magnetic properties of a high-spin cobalt(II) heteroscorpionate complex. Complementary information provided by these methods allowed precise determination of the magnetic interaction parameters, thereby removing the ambiguity inherit to single-method studies. We systematically investigate the extent to which information about the magnetic interaction parameters can be deduced from reduced data sets. The detailed study revealed significant different magnetic properties in solid state and solution. To further exploit the information content of the solution NMR experimental results, we introduce the new concept of reduced paramagnetic shift. It allows for the determination of the magnetic axes and, subsequently, full NMR signal assignment. It is shown that even in complicated cases, in which common NMR analytics (integral intensities, relaxation factors, etc.) fail, it yields robust results.
KW - SINGLE-MOLECULE MAGNETS
KW - LIGAND-FIELD PARAMETERS
KW - F-ELECTRONIC STRUCTURES
KW - PSEUDOCONTACT SHIFTS
KW - ANISOTROPY
KW - RESONANCE
KW - SPECTROSCOPY
KW - COUPLINGS
KW - DIPOLAR
KW - SERIES
UR - http://www.scopus.com/inward/record.url?scp=85088383919&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.0c01191
DO - 10.1021/acs.inorgchem.0c01191
M3 - Article
C2 - 32672944
AN - SCOPUS:85088383919
VL - 59
SP - 10746
EP - 10755
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 15
ER -
ID: 24814500