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振動円偏光二色性分光法 : VCD活性の起源
https://ouj.repo.nii.ac.jp/records/7441
https://ouj.repo.nii.ac.jp/records/7441d091aae1-e2f8-4579-b951-c9056c45a5ab
名前 / ファイル | ライセンス | アクション |
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20-115-151 (2.4 MB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2013-06-14 | |||||
タイトル | ||||||
タイトル | 振動円偏光二色性分光法 : VCD活性の起源 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Vibrational Circular Dichroism Spectroscopy : The origin of VCD activity | |||||
言語 | ||||||
言語 | eng | |||||
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 | departmental bulletin paper | |||||
著者 |
新, 佐依子
× 新, 佐依子× 濱田, 嘉昭× Shin, Saeko× Hamada, Yoshiaki |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | キラル分子の光学活性を考察する場合,振動円偏光二色性スペクトルを予測することは,最も重要で,かつ難しい問題の一つであった。この光学活性の理論的説明は,分子の電子励起状態にある振動状態を考慮.に入れることで解決された。このことは,振動円偏光二色性という現象が,核の振動による電子状態の混合に由来することを示唆している。 本稿の最後では,(S)-(+)-2-butanolについて行った実験と理論計算の結果を報告した。この分子の各異性体の,OH変角振動に対応する計算スペクトルは, OH基の相対的な構造によって3つのタイプに分けられる。著者らは古典的概念に基づく半経験的モデルを作り,振動円偏光二色性スペクトルと分子の構造との間の関係についての解析を行った。その結果,本モデルがこの分子のOH変角振動の振動円偏光二色性スペクトルの特徴をよく説明することがわかった。 |
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抄録(英) | ||||||
言語 | en | |||||
値 | The prediction of vibrational circular dichroism (VCD) spectra had been one of the most important and difficult problems in investigating the optical activity of chiral molecules. The theoretical explanation of the optical activity was successfully achieved by taking the vibrational state belonging to the electronic excited state into consideration. This implies that the phenomenon of VCD originates from the mixture of electronic states caused by the nuclear vibrational motions. In the last part of this review, we report our results of experiments and theoretical calculations about (S)-(+)-2-butanol. The predicted spectra corresponding to OH bending mode of every conformer of this molecule can be classified into three types according to the relative conformation of OH group. The semi-empirical model based on the classical concept was developed and applied to analyze the relation between the VCD spectrum and molecular structure. As a result, the model was found to be effective to explain the feature of VCD spectrum of OH bending mode of this molecule. |
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書誌情報 |
放送大学研究年報 en : Journal of the University of the Air 巻 20, p. 115-151, 発行日 2003-03-31 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0911-4505 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AN10019636 |