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

Alexander A. Pavlov, Joscha Nehrkorn, Sergey V. Zubkevich, Matvey V. Fedin, Karsten Holldack, Alexander Schnegg, Valentin V. Novikov

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)10746-10755
Number of pages10
JournalInorganic Chemistry
Volume59
Issue number15
DOIs
Publication statusPublished - 3 Aug 2020

Keywords

  • SINGLE-MOLECULE MAGNETS
  • LIGAND-FIELD PARAMETERS
  • F-ELECTRONIC STRUCTURES
  • PSEUDOCONTACT SHIFTS
  • ANISOTROPY
  • RESONANCE
  • SPECTROSCOPY
  • COUPLINGS
  • DIPOLAR
  • SERIES

Fingerprint Dive into the research topics of 'A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex'. Together they form a unique fingerprint.

Cite this