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Theoretical study of the exchange coupling in a Ni12 single-molecule magnet

✍ Scribed by Venegas-Yazigi, Diego; Ruiz, Eliseo; Cano, Joan; Alvarez, Santiago

Book ID
115455396
Publisher
Royal Society of Chemistry
Year
2006
Tongue
English
Weight
197 KB
Volume
22
Category
Article
ISSN
1477-9226

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Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet
✍ Diego Venegas-Yazigi; Joan Cano; Eliseo Ruiz; Santiago Alvarez πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 163 KB

Density functional theory (DFT) calculations on the tetranuclear Ni(II) complex [Ni 4 (C 5 H 11 O 3 ) 4 (CH 3 CN) 4 ](NO 3 ) 4 Á 1.33NaNO 3 , have been made in order to explain the exchange magnetic phenomenon. Two ferromagnetic exchange coupling constants were found (J 1 ΒΌ ΓΎ13:27 cm Γ€1 and J 2 ΒΌ ΓΎ1