| 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 |
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タイトル |
Infrared photodissociation spectroscopy of [Mg·(H2O) 1-4]+ and [Mg·(H2O) 1-4·Ar]+ |
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言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Ohshimo, Keijiro
Misaizu, Fuminori
Nishi, Nobuyuki
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| アクセス権 |
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アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
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権利情報 |
Copyright (c) 2004 American Chemical Society |
| 主題 |
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主題Scheme |
NDC |
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主題 |
430 |
| 内容記述 |
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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. |
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言語 |
en |
| 内容記述 |
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内容記述タイプ |
Other |
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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 |
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出版者 |
American Chemical Society |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 出版タイプ |
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出版タイプ |
AM |
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出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
| 関連情報 |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
http://dx.doi.org/10.1021/jp0486752 |
| 関連情報 |
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|
識別子タイプ |
DOI |
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関連識別子 |
10.1021/jp0486752 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
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収録物識別子 |
1089-5639 |
| 開始ページ |
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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 |
JPhysChemA_2004_108_5034.pdf (887.4 KB)
