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Role of Topology in Spin Alignment of Organic Materials

Published online by Cambridge University Press:  25 February 2011

Koichi Itoh ,
Takeji Takui ,
Yoshio Teki  and
Takamasa Kinoshita
Koichi Itoh
Affiliation:
Osaka City University, Faculty of Science, Department of Chemistry, Sugimoto, Sumiyoshi-ku, Osaka 558, Japan
Takeji Takui
Affiliation:
Osaka City University, Faculty of Science, Department of Chemistry, Sugimoto, Sumiyoshi-ku, Osaka 558, Japan
Yoshio Teki
Affiliation:
Osaka City University, Faculty of Science, Department of Chemistry, Sugimoto, Sumiyoshi-ku, Osaka 558, Japan
Takamasa Kinoshita
Affiliation:
Osaka City University, Faculty of Science, Department of Chemistry, Sugimoto, Sumiyoshi-ku, Osaka 558, Japan
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Abstract

It is shown that the spin alignment in organic molecules as determined by single crystal ESR is highly dependent on the topological nature of their molecular pi electron networks. The three topological isomers of a high-spin molecule, biphenyl-n,n′-bis(phenylmethylene), abbreviated as BP-3,3′-BPM, BP-3,4′-BPM and BP-4,4′-BPM are taken as model compounds. BP-3,3′-BPM has a unique spin alignment for which the simple molecular orbital and valence bond methods predict different ground-state spin multiplicities. The above remarkable feature of spin alignment in organic high-spin molecule is interpreted in terms of their spin density distributions which have been determined by a single crystal ENDOR technique and compared with theoretical values calculated on the basis of a generalized Hubbard model as well as the Heisenberg model. This approach is extended to magnetic polymers in order to characterize their structure of the spin sites.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 173: Symposium Q – Advanced Organic Solid State Materials , 1989 , 51
Copyright
Copyright © Materials Research Society 1990

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References

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