Detailed electronic structure of a high-spin cobalt(ii) complex determined from NMR and THz-EPR spectroscopy. Issue 16 (5th April 2019)

• Record Type: Journal Article
• Authors: Pavlov, Alexander A.; Nehrkorn, Joscha; Pankratova, Yanina A.; Ozerov, Mykhaylo; Mikhalyova, Elena A.; Polezhaev, Alexander V.; Nelyubina, Yulia V.; Novikov, Valentin V.
• Is Part Of: Physical chemistry chemical physics. Volume 21:Issue 16(2019)
• Page Start: 8201
• Page End: 8204
• Publication Date: 2019-04-05
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c9cp01474h
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Here we report a combined use of THz-EPR and paramagnetic NMR spectroscopy for obtaining a detailed electronic structure of a high-spin cobalt(ii ) complex. 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.