WEKO3
アイテム
Infrared photodissociation spectroscopy of protonated formic acid-water binary clusters, H+·(HCOOH)n·H2O (n = 1-5). Spectroscopic study of ion core switch model and magic number
https://hiroshima.repo.nii.ac.jp/records/2007495
https://hiroshima.repo.nii.ac.jp/records/2007495662a0421-d7c1-4f91-9e93-29c3302aa471
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2002_106_4529.pdf (1.1 MB)
|
| 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-water binary clusters, H+·(HCOOH)n·H2O (n = 1-5). Spectroscopic study of ion core switch model and magic number | |||||||||
| 言語 | en | |||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Nishi, Nobuyuki
|
|||||||||
| 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) 2002 American Chemical Society | |||||||||
| 主題 | ||||||||||
| 主題Scheme | NDC | |||||||||
| 主題 | 430 | |||||||||
| 内容記述 | ||||||||||
| 内容記述 | Infrared spectra of protonated formic acid-water binary clusters, H+·(HCOOH)n·H2O (n = 1-5), are investigated by infrared photodissociation spectroscopy and ab initio molecular orbital calculations. The asymmetric OH stretching vibration of water is observed in the infrared photodissociation spectra of the clusters with n = 1-3; it disappears in the spectra of the n=4 and 5 clusters. On detailed comparison of the observed infrared spectra with calculated ones, the most stable geometric structures are obtained for the n = 1-5 clusters. These results suggest that the clusters switch the ion cores from HCOOH2+ for n = 1-3 to H3O+ for n = 4 and 5. The n = 5 cluster has a cyclic-type structure; the H3O+ ion core is fully surrou and stabilized by five formic acid molecules. This characteristic nature produces a magic number of the n = 5 cluster. | |||||||||
| 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, 2002, available online: http://pubs.acs.org/doi/abs/10.1021/jp014432n | |||||||||
| 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/jp014432n | |||||||||
| 関連情報 | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1021/jp014432n | |||||||||
| 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 | 4529 | |||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 106, 号 18, p. 4529-4535, 発行日 2002-05-09 |
|||||||||
| 旧ID | 14731 | |||||||||
