Issue 16, 2019

Detailed electronic structure of a high-spin cobalt(ii) complex determined from NMR and THz-EPR spectroscopy

Abstract

Here we report a combined use of THz-EPR and NMR spectroscopy for obtaining a detailed electronic structure of a long-known high-spin complex, cobalt(II) bis[tris(pyrazolyl)borate]. The lowest inter-Kramers transition was directly measured by THz-EPR spectroscopy, while the energies of higher Kramers doublets were estimated by a recently proposed NMR-based approach. Together, they produced magnetic parameters for a full model that explicitly includes spin–orbit coupling. This approach is applicable to all transition metal ions for which the spin–orbit coupling cannot be treated perturbatively.

Graphical abstract: Detailed electronic structure of a high-spin cobalt(ii) complex determined from NMR and THz-EPR spectroscopy

Supplementary files

Article information

Article type
Communication
Submitted
15 mars 2019
Accepted
01 avr. 2019
First published
01 avr. 2019

Phys. Chem. Chem. Phys., 2019,21, 8201-8204

Author version available

Detailed electronic structure of a high-spin cobalt(II) complex determined from NMR and THz-EPR spectroscopy

A. A. Pavlov, J. Nehrkorn, Y. A. Pankratova, M. Ozerov, E. A. Mikhalyova, A. V. Polezhaev, Y. V. Nelyubina and V. V. Novikov, Phys. Chem. Chem. Phys., 2019, 21, 8201 DOI: 10.1039/C9CP01474H

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