| 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 |
Hydrogen bonding in methanol clusters probed by inner-shell photoabsorption spectroscopy in the carbon and oxygen K-edge regions |
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言語 |
en |
| 作成者 |
Tamenori, Y.
Okada, Kazumasa
Takahashi, Osamu
Arakawa, S.
Tabayashi, Kiyohiko
Hiraya, Atsunari
Gejo, T.
Honma, K.
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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) 2008 American Institute of Physics |
| 主題 |
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主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
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内容記述タイプ |
Other |
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内容記述 |
Hydrogen bonding in methanol clusters has been investigated by using inner-shell photoabsorption spectroscopy and density functional theory (DFT) calculations in the carbon and oxygen K-edge regions. The partial-ion-yield (PIY) curves of H(CH3OH)n+ were measured as the soft X-ray absorption spectra of methanol clusters. The first resonance peak in the PIY curves, which is assigned to the σ*(O–H) resonance transition, exhibits a 1.20-eV blue-shift relative to the total-ion-yield (TIY) curves of molecular methanol in the oxygen K-edge region, while it exhibits a shift of only 0.25 eV in the carbon K-edge region. Decreased intensities of the transitions to higher Rydberg orbitals were observed in the PIY curves of the clusters. The drastic change in the σ*(O–H) resonance transition is interpreted by the change in the character of the σ*(O–H) molecular orbital at the H-donating OH site due to the hydrogen-bonding (HB) interaction. |
| 出版者 |
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出版者 |
American Institute of Physics |
| 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 |
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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 |
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 |
10.1063/1.2898536 |
| 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 |
|
|
関連識別子 |
http://dx.doi.org/10.1063/1.2898536 |
| 収録物識別子 |
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収録物識別子タイプ |
NCID |
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収録物識別子 |
AA00694991 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0021-9606 |
| 開始ページ |
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|
開始ページ |
124321 |
| 書誌情報 |
Journal of Chemical Physics
Journal of Chemical Physics
巻 128,
号 12,
p. 124321,
発行日 2008-03-31
|
| 旧ID |
23066 |
JChemPhys_128_124321.pdf (409.9 KB)
