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

被引：27

作者：

Bencini, A

Carbonera, C

Dei, A

Vaz, MGF

机构：

[1] Univ Florence, Dept Chem, I-50019 Sesto Fiorentino, Fi, Italy

[2] Univ Fed Rio de Janeiro, Inst Quim, Dept Quim Inorgan, Rio De Janeiro, Brazil

来源：

DALTON TRANSACTIONS | 2003年 / 09期

关键词：

D O I：

10.1039/b300970j

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

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页码：1701 / 1706

页数：6

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