Title
Molecular magnetism via resonating valence bonds for conjugated radicals and selected transition metal complexes Molecular magnetism via resonating valence bonds for conjugated radicals and selected transition metal complexes
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
New York, N.Y. ,
Subject
Mathematics
Physics
Chemistry
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Source (book)
41st International Symposium on Atomic, Molecular, and Condensed Matter Theory, FEB 24-MAR 02, 2001, ST AUGUSTINE, FLORIDA
Volume/pages
85(2001) :4-5 , p. 327-344
ISSN
0020-7608
ISI
000172016400016
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Currently there is considerable interest in the nature of exchange interactions leading to unpaired electrons in molecular and cluster magnets. Here, the focus is largely at a qualitative level, via a novel "mean-field" resonance-theoretic view, to deal with exchange couplings, so as to allow unpaired electrons in either (or both of) the pi- and sigma -parts of a (largely organic) bipartite (or alternate) molecular network. The (quantitative) number and (qualitative) location of unpaired spins are dealt with by this simple approach, which also offers some (qualitative) information on the occurrence of low-lying higher-spin states. To illustrate the approach it is applied to a variety of systems where the spin sources are conjugated pi -network molecules and polymers, carbenes, variously defected graphites, and a few species involving transition metals, especially Cu. The discussion deals not only with traditional conjugated organics compounds but also with selected inorganic species. (C) 2001 John Wiley & Sons, Inc.
E-info
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