Issue 63, 2012

Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination

Abstract

The origin of very strong antiferromagnetic exchange in N23− bridged complex, [{[(Me3Si)2N]2Gd(THF)}2(μ-η22-N2)] (1) has been probed using density functional theory (DFT) combined with molecular orbital (MO) and natural bond orbital (NBO) analysis. The analysis helps us to propose a generic mechanism of coupling for a {2p–4f} class of compounds.

Graphical abstract: Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination

Supplementary files

Article information

Article type
Communication
Submitted
14 מאי 2012
Accepted
06 יונ 2012
First published
13 יונ 2012

Chem. Commun., 2012,48, 7856-7858

Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination

T. Rajeshkumar and G. Rajaraman, Chem. Commun., 2012, 48, 7856 DOI: 10.1039/C2CC33483F

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