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Cohesion of γ-quinacridone and 2,9-dimethylquinacridone in the solid state
http://hdl.handle.net/10131/3204
http://hdl.handle.net/10131/32046959154a-a2e2-461d-a8f5-461fca38fc69
名前 / ファイル | ライセンス | アクション |
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QA10final.pdf (389.8 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2008-08-11 | |||||
タイトル | ||||||
タイトル | Cohesion of γ-quinacridone and 2,9-dimethylquinacridone in the solid state | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題 | Quinacridone, Energy partition, Semi-empirical molecular orbital calculations, Hydrogen-bonded pigments, Cohesive force | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
Senju, Takatoshi
× Senju, Takatoshi× Sakai, Masataka× Mizuguchi, Jin |
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著者(ヨミ) | ||||||
識別子Scheme | WEKO | |||||
識別子 | 16136 | |||||
姓名 | ミズグチ, ジン | |||||
著者別名 | ||||||
識別子Scheme | WEKO | |||||
識別子 | 16137 | |||||
姓名 | 水口, 仁 | |||||
著者所属 | ||||||
Department of Applied Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, 240-8501 Yokohama, Japan | ||||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Quinacridones are industrially important red pigments characterized by NHO intermolecular hydrogen bonds. Among these, unsubstituted γ-quinacridone (γ-QA) and 2,9-dimethylquinacridone (2,9-DMQA) are the major products used widely in painting and imaging industries. Our recent structure analysis revealed that the NHO hydrogen bond in 2,9-DMQA is slightly weaker as compared with that of γ-QA, although the former is generally known to be more stable against heat and light irradiation than the latter. In order to clarify this point, the cohesion of γ-QA and 2,9-DMQA has been investigated on the basis of the energy partition analysis of semi-empirical molecular orbital calculations, using the X-ray x, y and z coordinate sets. The NHO hydrogen bond is found to be the major intermolecular force in γ-QA and 2,9-DMQA, as expected. However, in 2,9-DMQA, an additional interaction is also recognized due to diagonal pairs along the stacking axis. Then, it follows that the sum of the hydrogen bond and the diagonal-pair interactions in 2,9-DMQA exceeds the total cohesive force of γ-QA, showing a higher stabilization of the former than the latter. | |||||
書誌情報 |
Dyes and Pigments 巻 75, 号 2, p. 449-453, 発行日 2007 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 01437208 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00161945 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1016/j.dyepig.2006.06.038 | |||||
権利 | ||||||
権利情報 | Copyright © 2006 Elsevier Ltd All rights reserved. NOTICE: This is the author's version of a work accepted for publication by Elsevier. Changes resulting from the publishing process, including peer review, editing, corrections, structual formatting and other quality control mechanisms , may not be reflected in this document. Changes may have been to this work since it was submitted for publication. | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
出版者 | ||||||
出版者 | Elsevier | |||||
資源タイプ | ||||||
内容記述タイプ | Other | |||||
内容記述 | postprint |