A Synergy and Struggle of EPR, Magnetometry and NMR

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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. et al.

In: Inorganic Chemistry, Vol. 59, No. 15, 03.08.2020, p. 10746-10755.

Research output: Contribution to journal › Article › peer-review

Harvard

Pavlov, AA, Nehrkorn, J, Zubkevich, SV, Fedin, MV, Holldack, K, Schnegg, A & Novikov, VV 2020, 'A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex', Inorganic Chemistry, vol. 59, no. 15, pp. 10746-10755. https://doi.org/10.1021/acs.inorgchem.0c01191

APA

Pavlov, A. A., Nehrkorn, J., Zubkevich, S. V., Fedin, M. V., Holldack, K., Schnegg, A., & Novikov, V. V. (2020). A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. Inorganic Chemistry, 59(15), 10746-10755. https://doi.org/10.1021/acs.inorgchem.0c01191

Vancouver

Pavlov AA, Nehrkorn J, Zubkevich SV, Fedin MV, Holldack K, Schnegg A et al. A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. Inorganic Chemistry. 2020 Aug 3;59(15):10746-10755. doi: 10.1021/acs.inorgchem.0c01191

Author

Pavlov, Alexander A. ; Nehrkorn, Joscha ; Zubkevich, Sergey V. et al. / A Synergy and Struggle of EPR, Magnetometry and NMR : A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. In: Inorganic Chemistry. 2020 ; Vol. 59, No. 15. pp. 10746-10755.

BibTeX

@article{0e52030d734c46a09b1eaa41326ced29,

title = "A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex",

abstract = "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. ",

keywords = "SINGLE-MOLECULE MAGNETS, LIGAND-FIELD PARAMETERS, F-ELECTRONIC STRUCTURES, PSEUDOCONTACT SHIFTS, ANISOTROPY, RESONANCE, SPECTROSCOPY, COUPLINGS, DIPOLAR, SERIES",

author = "Pavlov, {Alexander A.} and Joscha Nehrkorn and Zubkevich, {Sergey V.} and Fedin, {Matvey V.} and Karsten Holldack and Alexander Schnegg and Novikov, {Valentin V.}",

year = "2020",

month = aug,

day = "3",

doi = "10.1021/acs.inorgchem.0c01191",

language = "English",

volume = "59",

pages = "10746--10755",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "15",

}

RIS

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.

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