Publication
Title
Molecular magnetism via resonating valence bonds for conjugated radicals and selected transition metal complexes
Author
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.
Language
English
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
Publication
New York, N.Y. : 2001
ISSN
0020-7608
Volume/pages
85:4-5(2001), p. 327-344
ISI
000172016400016
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 27.11.2017
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