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Bulletin of the Chemical Society of Japan
Article ID: 20140406

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http://doi.org/10.1246/bcsj.20140406

  Advance Publication  

Solid-State Optical Properties and Crystal Structures of 1,4-Dipropoxy-9,10-anthraquinone Polymorphs

Chitoshi Kitamura1), Sining Li1), Munenori Takehara1), Yoshinori Inoue1), Katsuhiko Ono2), Takeshi Kawase3), Kazuhiro J. Fujimoto4)

1) Department of Materials Science, School of Engineering, The University of Shiga Prefecture 2) Department of Materials Science and Engineering, Graduate School of Engineering, Nagoya Institute of Technology 3) Department of Materials Science and Chemistry, Graduate School of Engineering, University of Hyogo 4) Department of Computational Science, Graduate School of System Informatics, Kobe University

[Advance Publication] Released 2015/02/16
received 2014/12/25   accepted 2015/02/08

The final version of this article with its full bibliographical information is available. To access the article, click here (Vol. 88 (2015), No. 5 pp. 713-715).

  • Abstracts

Recrystallization of 1,4-dipropoxy-9,10-anthraquinone from hexane solution afforded two polymorphs: red prisms and yellow needles. X-ray crystallographic analyses revealed that the molecular arrangement was an anti-parallel orientation for red solids and a slipped-parallel orientation for yellow solids. The difference in solid-state color was analyzed by TD-DFT calculations of their multimers.

Copyright © 2015 The Chemical Society of Japan
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