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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/2007497
a64e8353-439e-4ae6-a925-521af09b4507
名前 / ファイル ライセンス アクション
JPhysChemA_2003_107_11319.pdf JPhysChemA_2003_107_11319.pdf (279.4 KB)
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
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

en Inokuchi, Yoshiya

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Nishi, Nobuyuki

× Nishi, Nobuyuki

en 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
旧ID 14733
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