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Structure of hydrated clusters of dibenzo-18-crown-6-ether in a supersonic jet : Encapsulation of water molecules in the crown cavity
https://hiroshima.repo.nii.ac.jp/records/2008029
https://hiroshima.repo.nii.ac.jp/records/20080299f7f56e5-2b60-46fa-80bd-886a48220817
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysChemChemPhys_2008_10_6238.pdf (4.5 MB)
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| Item type | デフォルトアイテムタイプ_（フル）(1) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2023-03-18 | |||||||||||
| タイトル | ||||||||||||
| タイトル | Structure of hydrated clusters of dibenzo-18-crown-6-ether in a supersonic jet : Encapsulation of water molecules in the crown cavity | |||||||||||
| 言語 | en | |||||||||||
| 作成者 |
Kusaka, Ryoji
× Kusaka, Ryoji
× Inokuchi, Yoshiya
× Ebata, Takayuki
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| アクセス権 | ||||||||||||
| アクセス権 | open access | |||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||||
| 権利情報 | ||||||||||||
| 権利情報 | Copyright (c) the Owner Societies 2008 | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | NDC | |||||||||||
| 主題 | 430 | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述 | The structure of dibenzo-18-crown-6-ether (DB18C6) and its hydrated clusters has been investigated in a supersonic jet. Two conformers of bare DB18C6 and six hydrated clusters (DB18C6–(H2O)n) were identified by laser induced fluorescence, fluorescence detected UV–UV hole-burning and IR–UV double-resonance spectroscopy. The IR–UV double resonance spectra were compared with the IR spectra obtained by quantum chemical calculations at the B3LYP/6-31+G* level. The two conformers of bare DB18C6 are assigned to “boat" and “chair I" forms, respectively, among which the boat form is dominant. All the six DB18C6–(H2O)n clusters with n = 1–4 have a boat conformation in the DB18C6 part. The water molecules form a variety of hydration networks in the boat-DB18C6 cavity. In DB18C6-(H2O)1, a water molecule forms the bidentate hydrogen bond with the O atoms adjacent to the benzene rings. In this cluster, the water molecule is preferentially hydrogen bonded from the bottom of boat-DB18C6. In the larger clusters, the hydration networks are developed on the basis of the DB18C6- (H2O)1 cluster. | |||||||||||
| 言語 | en | |||||||||||
| 出版者 | ||||||||||||
| 出版者 | Royal Society of Chemistry | |||||||||||
| 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 | journal article | |||||||||||
| 出版タイプ | ||||||||||||
| 出版タイプ | AO | |||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_b1a7d7d4d402bcce | |||||||||||
| 関連情報 | ||||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | 10.1039/B807113F | |||||||||||
| 関連情報 | ||||||||||||
| 関連タイプ | isVersionOf | |||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | http://dx.doi.org/10.1039/B807113F | |||||||||||
| 収録物識別子 | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 1463-9076 | |||||||||||
| 開始ページ | ||||||||||||
| 開始ページ | 6238 | |||||||||||
| 書誌情報 |
Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics 巻 10, 号 41, p. 6238-6244, 発行日 2008-09-01 |
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| 旧ID | 37644 | |||||||||||
