| 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 |
Structures of [(CO2)n(H2O) m]- (n=1-4, m=1,2) cluster anions. I. Infrared photodissociation spectroscopy |
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言語 |
en |
| 作成者 |
Muraoka, Azusa
Inokuchi, Yoshiya
Nishi, Nobuyuki
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) 2006 American Institute of Physics |
| 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 |
The infrared photodissociation spectra of [(CO2) n(H2O)m]- (n=1-4, m=1, 2) are measured in the 3000-3800 cm-1 range. The [(CO2) n(H2O)1]- spectra are characterized by a sharp band around 3570 cm-1 except for n=1; [(CO 2)1(H2O)1]- does not photodissociate in the spectral range studied. The [(CO2) n(H2O)2]- (n=1, 2) species have similar spectral features with a broadband at ≈3340 cm-1. A drastic change in the spectral features is observed for [(CO2) 3(H2O)2]-, where sharp bands appear at 3224, 3321, 3364, 3438, and 3572 cm-1. Ab initio calculations are performed at the MP2/6-311++G** level to provide structural information such as optimized structures, stabilization energies, and vibrational frequencies of the [(CO2)n(H 2O)m]- species. Comparison between the experimental and theoretical results reveals rather size- and composition-specific hydration manner in [(CO2)n(H 2O)m]-: (1) the incorporated H2O is bonded to either CO2- or C2O4- through two equivalent OH⋯O hydrogen bonds to form a ring structure in [(CO2)n(H2O)1] -; (2) two H2O molecules are independently bound to the O atoms of CO2- in [(CO2)n(H 2O)2]- (n=1, 2); (3) a cyclic structure composed of CO2- and two H2O molecules is formed in [(CO2)3(H2O)2] -. |
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言語 |
en |
| 出版者 |
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出版者 |
American Institute of Physics |
| 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 |
VoR |
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出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 関連情報 |
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識別子タイプ |
DOI |
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関連識別子 |
10.1063/1.1850896 |
| 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/10.1063/1.1850896 |
| 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 |
0021-9606 |
| 開始ページ |
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開始ページ |
1 |
| 書誌情報 |
Journal of Chemical Physics
Journal of Chemical Physics
巻 122,
号 9,
p. 1-7,
発行日 2005
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| 旧ID |
14691 |
JChemPhys_2005_122_094303.pdf (906.7 KB)
