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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

REFERENCES

1. Korshak, Yu. V., Medvedeva, T. V., Ovchinnikov, A. A, Spector, V. N., Nature 326, 370 (1987).Google Scholar
2. Torrance, J. B., Oostra, S., Nazzal, , Synth. Met. 19, 708 (1987); J. Appl. Phys. 634, (1988).Google Scholar
3. Otani, S. and Ota, M., Chem. Lett. 1989, 1183.Google Scholar
4. Itoh, K., Chem. Phys. Lett. 1, 235 (1967).Google Scholar
5. Teki, Y., Takui, T., Itoh, K., Iwamura, H., Kobayashi, K., J. Am. Chem. Soc. 105, 3722 (1983); 108, 2147 (1986), and the references cited therein.Google Scholar
6. Fujita, Y., Teki, Y., Takui, T., Kinoshita, T., Miko, F., Sawaki, Y., Izuoka, A., Sugawara, T., Iwamura, H., J. Am. Chem. Soc., to be published.Google Scholar
7. Itoh, K., Pure Appl. Chem. 50, 1251 (1978).Google Scholar
8. Longuet-Higgins, H. C., J. Chem. Phys. 18, 265 (1950).Google Scholar
9. Lieb, E. and Mattis, D., J. Math. Phys. 3, 749 (1962).Google Scholar
10. Ovchinnikov, A. A., Theoret. Chim. Acta 47, 297 (1978).Google Scholar
11. Klein, D. J., Nelin, C. J., Alexander, S., Matsen, F. A., J. Chem. Phy. 77, 3101 (1982).CrossRefGoogle Scholar
12. Teki, Y., Takui, T., Kinoshita, T., Ichikawa, S, Yagi, F., Itoh, K., Chem. Phys. Lett. 141, 201 (1987).Google Scholar
13. Teki, Y., Takui, T., Kitano, M., Itoh, K., Chem. Phys. Lett. 142, 181 (1987).Google Scholar
14. Hubbard, I., Proc. Roy. Soc. 276A, 238 (1963);Google Scholar
Nasu, K., Phys. Rev. B33, 330 (1986).Google Scholar
15. van Vleck, J. H., Phys. Rev. 49, 232 (1936);Google Scholar
Coope, J. A. R., Chem. Phys. Lett. 1, 77 (1967).Google Scholar
16. Teki, , Takui, T., Kitano, M., Itoh, K., Chem. Phys. Lett., to be published.Google Scholar
17. Morimoto, S., Itoh, K., Tanaka, F., and Mataga, N., Preprints of the Symposium on Molecular Structure (Tokyo), 76 (1968);Google Scholar
Mataga, N., Theor. Chim. Acta 10, 372 (1968);Google Scholar
Itoh, K., Bussei 12, 636 (1971).Google Scholar
18. Morimoto, Y. and Date, M., J. Phys. Soc. Japan 29, 1093 (1970);CrossRefGoogle Scholar
Mozurkewich, G., Elliot, H., Hardiman, M., and Orbach, R., Phys. Rev. B29, 278 (1984).Google Scholar