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Formation of Semi-Covalent Bond in [(N2O)nH2O]+ (n = 2-7) Cluster Ions Studied by IR Spectroscopy
https://hiroshima.repo.nii.ac.jp/records/2007484
https://hiroshima.repo.nii.ac.jp/records/2007484548bc682-bdc4-47c4-b8c9-53da66e0fb0e
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2010_114_11037.pdf (1.4 MB)
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| 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 | Formation of Semi-Covalent Bond in [(N2O)nH2O]+ (n = 2-7) Cluster Ions Studied by IR Spectroscopy | |||||||||||
| 言語 | en | |||||||||||
| 作成者 |
Matsushima, Ryoko
× Matsushima, Ryoko
× Ebata, Takayuki
× Inokuchi, Yoshiya
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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) 2010 American Chemical Society | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | NDC | |||||||||||
| 主題 | 430 | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述 | IR photodissociation (IRPD) spectra of [(N2O)nH2O]+ with n = 2－7 are measured in the 1100－3800 cm-1 region. In parallel, the geometry optimization and the vibrational analysis are carried out at the B3LYP/6-311++G(d,p) level of theory. In the OH stretching (2400－3800 cm-1) region, the IRPD spectrum of the [(N2O)2H2O]+ ion shows a sharp band at 3452 cm-1 and a broad one at around 2700 cm-1, which are assignable to the stretching vibrations of the free and hydrogen-bonded OH groups, respectively. The IRPD spectra of the [(N2O)nH2O]+ (n = 3－7) ions show no band of the free OH stretching vibration, indicating that both of the OH groups are hydrogen-bonded to solvent N2O molecules. The IRPD spectra of the n = 2－7 ions also show the ν1 and ν3 vibrations of the N2O components at around 1250 and 2200 cm-1, respectively. Comparison of the IRPD spectra with the calculated IR spectra suggests that the [(N2O)nH2O]+ cluster ions have an (N2O･H2O)+ ion core, in which the positive charge is delocalized over the H2O and N2O components, and that an intermolecular semi-covalent bond is formed between the oxygen atoms of H2O and N2O through the charge resonance interaction. | |||||||||||
| 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, 2010, available online: http://pubs.acs.org/doi/abs/10.1021/jp100336h. | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述タイプ | Other | |||||||||||
| 内容記述 | This work is supported by Grant-in-Aids (Grant Nos. 18205003 and 21350016) for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT). | |||||||||||
| 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 | ||||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | 10.1021/jp100336h | |||||||||||
| 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/jp100336h | |||||||||||
| 関連情報 | ||||||||||||
| 識別子タイプ | PMID | |||||||||||
| 関連識別子 | 20364853 | |||||||||||
| 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 | 11037 | |||||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 114, 号 42, p. 11037-11042, 発行日 2010-10-28 |
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| 旧ID | 37973 | |||||||||||
