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Infrared Photodissociation Spectroscopy of Protonated Formic Acid and Acetic Acid Clusters
https://hiroshima.repo.nii.ac.jp/records/2007497
https://hiroshima.repo.nii.ac.jp/records/2007497a64e8353-439e-4ae6-a925-521af09b4507
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2003_107_11319.pdf (279.4 KB)
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| Item type | デフォルトアイテムタイプ_（フル）(1) | |||||||||
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| 公開日 | 2023-03-18 | |||||||||
| タイトル | ||||||||||
| タイトル | Infrared Photodissociation Spectroscopy of Protonated Formic Acid and Acetic Acid Clusters | |||||||||
| 言語 | en | |||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Nishi, Nobuyuki
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| アクセス権 | ||||||||||
| アクセス権 | open access | |||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||
| 権利情報 | ||||||||||
| 権利情報 | Copyright (c) 2003 American Chemical Society | |||||||||
| 主題 | ||||||||||
| 主題Scheme | NDC | |||||||||
| 主題 | 430 | |||||||||
| 内容記述 | ||||||||||
| 内容記述 | Infrared photodissociation spectra of protonated formic acid clusters, H+·(HCOOH)n (n = 2-5), are measured in the 3000-3700 cm-1 region. Density functional theory calculation is applied to H+·(HCOOH)n (n = 2-5). Geometry optimization of H+·(HCOOH)n (n = 2-5) indicates that stable forms of these clusters are open-chain structures with free OH groups at both ends. In the infrared photodissociation spectra of the n = 2 and n = 3 species, there are two sharp bands in the range of 3400-3700 cm -1. The lower- and higher-frequency bands of them are attributed to the free OH stretching vibrations of the peripheral COOH groups in the E and Z conformations, respectively. The intensity of the higher-frequency band, relative to that of the lower-frequency band, decreases from n = 2 to n = 3. The n = 4 and n = 5 ions exhibit only one sharp band in the same region. This band is assigned to the free OH stretching vibrations of the end COOH groups in the E conformation; the n = 4 and n = 5 ions have the peripheral COOH groups only in the E conformation. We observe infrared photodissociation spectra of H+·(HCOOH)n (n = 6, 7) in the 3500-3600 cm -1 region. The absence of any free OH band for n = 7 shows that both ends of chain structures of n = 7 are terminated by cyclic dimers. Infrared photodissociation spectra of H+·(CH3COOH) n (n = 2-5) are also examined in the 3000-3700 cm-1 region. Resemblance of the spectra of H+·(CH 3COOH)n to those of H+·(HCOOH) n suggests that the acetic acid clusters have structures that are similar to those of the formic acid clusters; the intermolecular network is formed only by the COOH groups. | |||||||||
| 言語 | en | |||||||||
| 内容記述 | ||||||||||
| 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, 2003, available online: http://pubs.acs.org/doi/abs/10.1021/jp030475n | |||||||||
| 出版者 | ||||||||||
| 出版者 | American Chemical Society | |||||||||
| 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 | |||||||||
| 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 | ||||||||||
| 関連タイプ | isVersionOf | |||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | http://dx.doi.org/10.1021/jp030475n | |||||||||
| 関連情報 | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1021/jp030475n | |||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 1089-5639 | |||||||||
| 開始ページ | ||||||||||
| 開始ページ | 11319 | |||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 107, 号 51, p. 11319-11323, 発行日 2003-12-25 |
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| 旧ID | 14733 | |||||||||
