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Issue 16, 2019
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Detailed electronic structure of a high-spin cobalt(II) complex determined from NMR and THz-EPR spectroscopy

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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

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Publication details

The article was received on 15 Mar 2019, accepted on 01 Apr 2019 and first published on 01 Apr 2019


Article type: Communication
DOI: 10.1039/C9CP01474H
Citation: Phys. Chem. Chem. Phys., 2019,21, 8201-8204

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    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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