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Intramolecular antiferromagnetic exchange in tris(o-semiquinone) complexes of vanadium(III), chromium(III), and iron(III)

✍ Scribed by Buchanan, Robert M.; Downs, Hartley H.; Shorthill, William B.; Pierpont, Cortlandt G.; Kessel, Stephen L.; Hendrickson, David N.


Book ID
118060119
Publisher
American Chemical Society
Year
1978
Tongue
English
Weight
470 KB
Volume
100
Category
Article
ISSN
0002-7863

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Ab initio calculation of the magnetic ex
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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 Ε½ . Ε½ . 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