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ID 23066
本文ファイル
著者
Tamenori, Y.
Arakawa, S.
Tabayashi, Kiyohiko
Gejo, T.
Honma, K.
NDC
化学
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.
掲載誌名
Journal of Chemical Physics
128巻
12号
開始ページ
124321
出版年月日
2008-03-31
出版者
American Institute of Physics
ISSN
0021-9606
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
author
権利情報
Copyright (c) 2008 American Institute of Physics
関連情報URL(IsVersionOf)
http://dx.doi.org/10.1063/1.2898536
部局名
理学研究科



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