Issue 9, 2003

Magnetic exchange interaction between paramagnetic transition metal ions and radical ligands. A 9,10-dioxophenanthrenesemiquinonato adduct of a nickel(ii)–tetraazamacrocycle complex and DFT description

Abstract

The 9,10-dioxophenanthrenesemiquinonato adduct of a nickel(II)–CTH acceptor (CTH = dl-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane) was synthesized and structurally characterized. Temperature dependent magnetic susceptibility measurements show that this compound has a quartet electronic ground state arising from the strong ferromagnetic coupling between the S = 1 metal ion and the radical ligand. A computational DFT study carried out using the broken symmetry approach supports the observed magnetic properties as well those of the other nickel(II)–semiquinonato analogues. These results elucidate the electronic properties of the related cobalt–dioxolene complexes when undergoing valence tautomerism.

Graphical abstract: Magnetic exchange interaction between paramagnetic transition metal ions and radical ligands. A 9,10-dioxophenanthrenesemiquinonato adduct of a nickel(ii)–tetraazamacrocycle complex and DFT description

Supplementary files

Article information

Article type
Paper
Submitted
23 Jan 2003
Accepted
06 Mar 2003
First published
20 Mar 2003

Dalton Trans., 2003, 1701-1706

Magnetic exchange interaction between paramagnetic transition metal ions and radical ligands. A 9,10-dioxophenanthrenesemiquinonato adduct of a nickel(II)–tetraazamacrocycle complex and DFT description

A. Bencini, C. Carbonera, A. Dei and M. G. F. Vaz, Dalton Trans., 2003, 1701 DOI: 10.1039/B300970J

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