| 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 |
Infrared photodissociation spectroscopy of [Aniline-(Water)n]+ (n = 1-8): Structural change from branched and cyclic to proton-transferred forms |
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言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Ohashi, Kazuhiko
Honkawa, Yoshiki
Yamamoto, Norifumi
Sekiya, Hiroshi
Nishi, Nobuyuki
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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) 2003 American Chemical Society |
| 主題 |
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主題Scheme |
NDC |
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主題 |
430 |
| 内容記述 |
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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. |
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言語 |
en |
| 内容記述 |
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内容記述タイプ |
Other |
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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 |
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出版者 |
American Chemical Society |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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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 |
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出版タイプResource |
http://purl.org/coar/version/c_b1a7d7d4d402bcce |
| 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 |
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関連識別子 |
http://doi.org/10.1021/jp0225525 |
| 関連情報 |
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|
識別子タイプ |
DOI |
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関連識別子 |
10.1021/jp0225525 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
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収録物識別子 |
1089-5639 |
| 開始ページ |
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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
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| 旧ID |
14736 |
JPhysChemA_2003_107_4230.pdf (159.8 KB)
