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ESR Anisotropy of Organic Semiconductor Molecules: Calculation and Experiment

Published online by Cambridge University Press:  02 August 2012

Hiroyuki Matsui ,
Daisuke Kumaki ,
Eiji Takahashi ,
Kazuo Takimiya ,
Mitsuhiro Ikawa ,
Shizuo Tokito  and
Tatsuo Hasegawa
Hiroyuki Matsui
Affiliation:
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8562, Japan
Daisuke Kumaki
Affiliation:
Research Center for Organic Electronics (ROEL), Yamagata University, Yonezawa 992-8510, Japan
Eiji Takahashi
Affiliation:
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8562, Japan Sumika Chemical Analysis Service (SCAS), Ltd., Osaka 541-0043, Japan
Kazuo Takimiya
Affiliation:
Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527, Japan
Mitsuhiro Ikawa
Affiliation:
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8562, Japan
Shizuo Tokito
Affiliation:
Research Center for Organic Electronics (ROEL), Yamagata University, Yonezawa 992-8510, Japan
Tatsuo Hasegawa
Affiliation:
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8562, Japan
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Abstract

We investigated the anisotropic g tensors of nine kinds of organic semiconductor molecules in the cationic state by density functional theory (DFT) calculations. Large anisotropy was obtained in sulfur-containing molecules because of the large spin-orbit coupling at the sulfur atoms. The calculated g values were validated by electron spin resonance (ESR) experiments for the cation radicals in solution.

Keywords

organicsemiconductingelectron spin resonance
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1436: Symposium K – Advanced Materials and Processes for Systems-on-Plastic , 2012 , mrss12-1436-k09-09
Copyright
Copyright © Materials Research Society 2012

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References

REFERENCES

1. Marumoto, K. et al. ., J. Phys. Soc. Jpn. 74, 3066 (2005).Google Scholar
2. Marumoto, K. et al. ., Phys. Rev. Lett. 97, 256603 (2006).Google Scholar
3. Matsui, H. et al. ., Phys. Rev. Lett. 100, 126601 (2008).Google Scholar
4. Marumoto, K. et al. ., Phys. Rev. B 83, 075302 (2011).Google Scholar
5. Matsui, H. et al. ., Phys. Rev. B 85, 035308 (2012).Google Scholar
6. Matsui, H., Mishchenko, A. S., and Hasegawa, T., Phys. Rev. Lett. 104, 056602 (2010).Google Scholar
7. Mishchenko, A. S., Matsui, H., and Hasegawa, T., Phys. Rev. B 85, 085211 (2012).Google Scholar
8. Weil, J. A., Bolton, J. R., and Wertz, J. E., Electron Paramagnetic Resonance: Elementary Theory and Practical Applications (Wiley-Interscience, New York 1994).Google Scholar
9. Mcculloch, I. et al. ., Nat. Mater. 5, 328 (2006).Google Scholar
10. Ebata, H. et al. ., J. Am. Chem. Soc. 129, 15732 (2007).Google Scholar
11. Yamamoto, T. and Takimiya, K., J. Am. Chem. Soc. 129, 2224 (2007).Google Scholar
12. Yamada, T. et al. ., Appl. Phys. Lett. 92, 233306 (2008).Google Scholar
13. Takahashi, Y. et al. ., Chem. Mater. 19, 6382 (2007).Google Scholar
14. Frisch, M. J. et al. ., Gaussian 03, Revision E.01 (Gaussian, Inc., Wallingford, CT, 2004).Google Scholar