Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination
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Title |
Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination
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Creator |
RAJESHKUMAR, T
RAJARAMAN, G |
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Subject |
SINGLE-MOLECULE MAGNET
HEXADENTATE SCHIFF-BASES NITROXIDE FREE-RADICALS GADOLINIUM(III) COMPLEXES DINITROGEN REDUCTION GD MAGNETIZATION CLUSTERS DY LN |
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Description |
The origin of very strong antiferromagnetic exchange in N-2(3-) bridged complex, [{[(Me3Si)(2)N](2)Gd(THF)}(2)(mu-eta(2):eta(2)-N-2)](-) (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.
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Publisher |
ROYAL SOC CHEMISTRY
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Date |
2014-10-15T12:19:46Z
2014-10-15T12:19:46Z 2012 |
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Type |
Article
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Identifier |
CHEMICAL COMMUNICATIONS, 48(63)7856-7858
http://dx.doi.org/10.1039/c2cc33483f http://dspace.library.iitb.ac.in/jspui/handle/100/14888 |
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Language |
en
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