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Infrared photodissociation spectroscopy of [Mg·(H2O) 1-4]+ and [Mg·(H2O) 1-4·Ar]+
https://hiroshima.repo.nii.ac.jp/records/2007498
https://hiroshima.repo.nii.ac.jp/records/20074988286328b-ff02-4d17-b072-5899439a15e2
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2004_108_5034.pdf (887.4 KB)
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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 | Infrared photodissociation spectroscopy of [Mg·(H2O) 1-4]+ and [Mg·(H2O) 1-4·Ar]+ | |||||||||||||
| 言語 | en | |||||||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Ohshimo, Keijiro
× Misaizu, Fuminori
× Nishi, Nobuyuki
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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) 2004 American Chemical Society | |||||||||||||
| 主題 | ||||||||||||||
| 主題Scheme | NDC | |||||||||||||
| 主題 | 430 | |||||||||||||
| 内容記述 | ||||||||||||||
| 内容記述 | Infrared photodissociation spectra of [Mg·(H2O) 1-4]+ and [Mg·(H2O) 1-4·Ar]+ are measured in the 3000-3800 cm -1 region. For [Mg·(H2O)1-4] +cluster geometries are optimized and vibrational frequencies are evaluated by density functional theory calculation. We determine cluster structures of [Mg·(H2O)1-4]+ by comparison of the infrared photodissociation spectra with infrared spectra calculated for optimized structures of [Mg·(H2O) 1-4]+. In the [Mg·(H2O) 1-3]+ ions, all the water molecules are directly bonded to the Mg+ ion. The infrared photodissociation spectra of [Mg·(H2O)4]+ and [Mg·(H 2O)·Ar]+ show bands due to hydrogen-bonded OH stretching vibrations in the 3000-3450 cm-1 region. In the [Mg·(H2O)4]+ ion, three water molecules are attached to the Mg+ ion, forming the first solvation shell; the fourth molecule is bonded to the first solvation shell. As a result, the most stable isomer of [Mg·(H2O)4]+ has a six-membered ring composed of the Mg+ ion, two of the three water molecules in the first solvation shell, and a termination water molecule. | |||||||||||||
| 言語 | en | |||||||||||||
| 内容記述 | ||||||||||||||
| 内容記述タイプ | Other | |||||||||||||
| 内容記述 | This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2004, available online: http://pubs.acs.org/doi/abs/10.1021/jp0486752. | |||||||||||||
| 出版者 | ||||||||||||||
| 出版者 | American Chemical Society | |||||||||||||
| 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 | AM | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||||
| 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/10.1021/jp0486752 | |||||||||||||
| 関連情報 | ||||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | 10.1021/jp0486752 | |||||||||||||
| 収録物識別子 | ||||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 1089-5639 | |||||||||||||
| 開始ページ | ||||||||||||||
| 開始ページ | 5034 | |||||||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 108, 号 23, p. 5034-5040, 発行日 2004-05-18 |
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| 旧ID | 14692 | |||||||||||||
