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Infrared photodissociation spectroscopy of [Aniline-(Water)n]+ (n = 1-8): Structural change from branched and cyclic to proton-transferred forms

https://hiroshima.repo.nii.ac.jp/records/2007496
https://hiroshima.repo.nii.ac.jp/records/2007496
613d00ca-b6c4-4d5b-b286-20e734b6df27
名前 / ファイル ライセンス アクション
JPhysChemA_2003_107_4230.pdf JPhysChemA_2003_107_4230.pdf (159.8 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 [Aniline-(Water)n]+ (n = 1-8): Structural change from branched and cyclic to proton-transferred forms
言語 en
作成者 Inokuchi, Yoshiya

× Inokuchi, Yoshiya

en Inokuchi, Yoshiya

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Ohashi, Kazuhiko

× Ohashi, Kazuhiko

en Ohashi, Kazuhiko

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Honkawa, Yoshiki

× Honkawa, Yoshiki

en Honkawa, Yoshiki

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Yamamoto, Norifumi

× Yamamoto, Norifumi

en Yamamoto, Norifumi

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Sekiya, Hiroshi

× Sekiya, Hiroshi

en Sekiya, Hiroshi

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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 [aniline–(H2O)n]+ (n = 1–8) are measured in the 2700–3800 cm-1 region. The spectra are interpreted with the aid of density functional theory calculations. The n = 1 ion has an N–H•••O hydrogen bond. The spectrum of the n = 2 ion demonstrates a large perturbation to both of the NH oscillators, indicating the 1-1 structure where each NH bond is bound to a water molecule. For the n = 3 ion, the calculated spectrum of the 2-1 branched structure coincides well with the observed one. For the n = 4 ion, there exist three strong bands at 2960, 3100, and 3430 cm–1, and a very weak one at 3550 cm–1. The observed spectrum in the 3600–3800 cm–1 region is decomposed into four bands centered at 3640, 3698, 3710, and 3734 cm–1. The 2-2 branched isomer is responsible for all the features except the 3550 and 3710 cm–1 bands. These two bands are due to another isomer with a five-membered ring. An infrared band characteristic of the n = 5 ion appears at 3684 cm–1, which is not seen in the spectra of the n = 1–4 ions. This band is indicative of a ring structure and assigned to the free OH stretching vibration of the three-coordinated (double-acceptor–single-donor) H2O. The n = 5 ion has the five-membered ring structure with the fifth water molecule bound to the terminal (double-acceptor) H2O. The observed spectra of the n = 6–8 ions show features quite different from those of the n = 1–5 ions; a very strong and broad band emerges around 3400 cm–1, while no prominent bands appear below 3200 cm–1. It is suggested that the n = 6–8 ions have proton transferred structures.
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/jp0225525
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://doi.org/10.1021/jp0225525
関連情報
識別子タイプ DOI
関連識別子 10.1021/jp0225525
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 4230
書誌情報 Journal of Physical Chemistry A
Journal of Physical Chemistry A

巻 107, 号 21, p. 4230-4237, 発行日 2003-05-29
旧ID 14736
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