TY - JOUR
T1 - ESR anisotropy of organic semiconductor molecules
T2 - 2012 MRS Spring Meeting
AU - Matsui, Hiroyuki
AU - Kumaki, Daisuke
AU - Takahashi, Eiji
AU - Takimiya, Kazuo
AU - Ikawa, Mitsuhiro
AU - Tokito, Shizuo
AU - Hasegawa, Tatsuo
N1 - Funding Information:
A part of DNTT source material was supplied by Nippon Kayaku Co., Ltd. This work was partly supported by the Japan Science and Technology Agency (JST) through Strategic Promotion of Innovative Research and Development Program (S-Innovation), and also partly by the Japan Society for the Promotion of Science (JSPS) through the Grant-in-Aid for Scientific Research and the Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program).
Publisher Copyright:
© 2012 Materials Research Society.
PY - 2012
Y1 - 2012
N2 - 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.
AB - 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.
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U2 - 10.1557/opl.2012.1322
DO - 10.1557/opl.2012.1322
M3 - Conference article
AN - SCOPUS:84938382598
SN - 0272-9172
VL - 1436
SP - 6
EP - 9
JO - Materials Research Society Symposium - Proceedings
JF - Materials Research Society Symposium - Proceedings
IS - January
Y2 - 9 April 2012 through 13 April 2012
ER -