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Exchange coupling across the cyanide bridge: structural and DFT interpretation of the magnetic properties of a binuclear chromium(iii) complex

✍ Scribed by Alborés, Pablo ;Slep, Leonardo D. ;Weyhermüller, Thomas ;Rentschler, Eva ;Baraldo, Luis M.


Book ID
121231215
Publisher
Royal Society of Chemistry
Year
2006
Tongue
English
Weight
245 KB
Volume
7
Category
Article
ISSN
1477-9226

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Quantum chemical ab initio calculations have been performed for the magnetic exchange coupling in three linear oxo-bridged heterobinuclear transition-metal Ž . Ž . complexes of the form L M III -O-M III L with M , M s Ti, V, Cr. In order to 5 1 2 5 1 2 simplify the calculations, the terminal ligands