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15-4-6 :光学的および電気的諸機能を持つ巨大分子の分子設計
http://hdl.handle.net/10091/13541
http://hdl.handle.net/10091/13541688eb23e-1667-4d86-96f7-4ae5c2287121
名前 / ファイル | ライセンス | アクション |
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Item type | 研究報告書 / Research Paper(1) | |||||
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公開日 | 2012-02-23 | |||||
タイトル | ||||||
タイトル | 15-4-6 :光学的および電気的諸機能を持つ巨大分子の分子設計 | |||||
言語 | ||||||
言語 | jpn | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||
資源タイプ | research report | |||||
その他(別言語等)のタイトル | ||||||
その他のタイトル | 光・電気応答性巨大分子の研究 | |||||
著者 |
野村, 泰志
× 野村, 泰志 |
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信州大学研究者総覧へのリンク | ||||||
表示名 | 野村, 泰志 | |||||
URL | http://soar-rd.shinshu-u.ac.jp/profile/ja.OVcmjekV.html | |||||
出版者 | ||||||
出版者 | 信州大学繊維学部 | |||||
引用 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 先進ファイバー工学研究教育拠点研究成果報告書 10: 104-105(2004) | |||||
書誌情報 |
先進ファイバー工学研究教育拠点研究成果報告書 巻 10, p. 104-105, 発行日 2004-03-31 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Fullerenes and carbon nanotubes are allotropes consisting of a large number of carbon atoms. Because of their extended conjugations of the 1r-electron, their applications to the functional materials are expected. Optical and electronic properties of molecules strongly reflect natures of molecular electronic states, in general. In this work, electronic states of some kinds of fullerenes and nonotubes are theoretically analyzed and their optical and electronic properties are examined. For the tube-like fullerenes C60+10n, several groups theoretically showed that their HOMO-LUMO gaps periodically vary. Moreover, we also showed that the π-conjugations are regularly localized at the central cylindrical parts of the tubes and concluded that the periodicity originates in the localizations. Making CNDO/S-SECI calculations on the C60+10n molecules, we have obtained their ground and excited states and simulated the absorption spectra. In each spectrum, we see the weak longest edge and the prominent peak with a large oscillator strength value. Both positions of the longest edge and of the prominent peak move periodically. These periodicities are similar to the periodicity of the HOMO-LUMO gaps. Analyzing the CNDO/S-SECI data, it is shown that two electronic excited states corresponding to the longest edge and the prominent state are described by the linear combinations of two singly-excited configurations which the HOMO and LUMO participate in. It is also shown that the intensity of the prominent peak almost linearly increases with the tube length. Study on other types of nanotubes is in progress. | |||||
資源タイプ(コンテンツの種類) | ||||||
内容記述タイプ | Other | |||||
内容記述 | Article | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA1200368X | |||||
出版タイプ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 |