| 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 |
Structural Evolution of the [(CO2)n(H2O)]- Cluster Anions : Quantifying the Effect of Hydration on the Excess Charge Accommodation Motif |
|
言語 |
en |
| 作成者 |
Muraoka, Azusa
Inokuchi, Yoshiya
Hammer, Nathan I.
Shin, Joong-Won
Johnson, Mark A.
Nagata, Takashi
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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) 2009 American Chemical Society |
| 主題 |
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主題Scheme |
Other |
|
主題 |
Infrared photodissociation spectroscopy |
| 主題 |
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主題Scheme |
Other |
|
主題 |
cluster anions |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
structural evolution |
| 主題 |
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|
主題Scheme |
Other |
|
主題 |
hydration |
| 主題 |
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主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
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内容記述 |
The [(CO2)n(H2O)]- cluster anions are studied using infrared photodissociation (IPD) spectroscopy in the 2800－3800 cm-1 range. The observed IPD spectra display a drastic change in the vibrational band features at n = 4, indicating a sharp discontinuity in the structural evolution of the monohydrated cluster anions. The n = 2 and 3 spectra are composed of a series of sharp bands around 3600 cm-1, which are assignable to the stretching vibrations of H2O bound to C2O4- in a double ionic hydrogen-bonding (DIHB) configuration, as was previously discussed [J. Chem. Phys., 122, 094303 (2005)]. In the n ≥ 4 spectrum, a pair of intense bands additionally appears at ≈3300 cm-1. With the aid of ab initio calculations at the MP2/6-31+G* level, the 3300 cm-1 bands are assigned to the bending overtone and the hydrogen-bonded OH vibration of H2O bound to CO2- via a single O－H・・・O linkage. Thus, the structures of [(CO2)n(H2O)]- evolve with cluster size such that DIHB to C2O4- is favored in the smaller clusters with n = 2 and 3 whereas CO2- is preferentially stabilized via the formation of a single ionic hydrogen-bonding (SIHB) configuration in the larger clusters with n ≥ 4. |
|
言語 |
en |
| 内容記述 |
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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, 2009, available online: http://pubs.acs.org/doi/abs/10.1021/jp903578e. |
| 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 |
|
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 |
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|
識別子タイプ |
DOI |
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関連識別子 |
10.1021/jp903578e |
| 関連情報 |
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|
識別子タイプ |
PMID |
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関連識別子 |
19603758 |
| 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/jp903578e |
| 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 |
8942 |
| 書誌情報 |
Journal of Physical Chemistry A
Journal of Physical Chemistry A
巻 113,
号 31,
p. 8942-8948,
発行日 2009-08-06
|
| 旧ID |
37972 |
JPhysChemA_2009_113_8942.pdf (2.3 MB)
