WEKO3
アイテム
IR photodissociation spectroscopy of (OCS)n+ and (OCS)n- cluster ions : Similarity and dissimilarity in the structure of CO2, OCS, and CS2 cluster ions
https://hiroshima.repo.nii.ac.jp/records/2008932
https://hiroshima.repo.nii.ac.jp/records/2008932f7db2d83-9f44-4d82-8ffd-98051ec241db
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JChemPhys_2015_142_214306.pdf (324.6 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 | IR photodissociation spectroscopy of (OCS)n+ and (OCS)n- cluster ions : Similarity and dissimilarity in the structure of CO2, OCS, and CS2 cluster ions | |||||||||
| 言語 | en | |||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Ebata, Takayuki
|
|||||||||
| 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) 2015 AIP Publishing LLC. | |||||||||
| 主題 | ||||||||||
| 主題Scheme | NDC | |||||||||
| 主題 | 430 | |||||||||
| 内容記述 | ||||||||||
| 内容記述 | Infrared photodissociation (IRPD) spectra of (OCS) n+ and (OCS)n- (n = 2-6) cluster ions are measured in the 1000-2300 cm-1 region; these clusters show strong CO stretching vibrations in this region. For (OCS)2+ and (OCS)2-, we utilize the messenger technique by attaching an Ar atom to measure their IR spectra. The IRPD spectrum of (OCS)2+Ar shows two bands at 2095 and 2120 cm-1. On the basis of quantum chemical calculations, these bands are assigned to a C2 isomer of (OCS)2+, in which an intermolecular semi-covalent bond is formed between the sulfur ends of the two OCS components by the charge resonance interaction, and the positive charge is delocalized over the dimer. The (OCS)n+ (n = 3-6) cluster ions show a few bands assignable to “solvent" OCS molecules in the 2000-2080 cm-1 region, in addition to the bands due to the (OCS)2+ ion core at ~2090 and ~2120 cm-1, suggesting that the dimer ion core is kept in (OCS)3-6+. For the (OCS)n- cluster anions, the IRPD spectra indicate the coexistence of a few isomers with an OCS- or (OCS)2- anion core over the cluster range of n = 2-6. The (OCS) 2-Ar anion displays two strong bands at 1674 and 1994 cm-1. These bands can be assigned to a Cs isomer with an OCS- anion core. For the n = 2-4 anions, this OCS- anion core form is dominant. In addition to the bands of the OCS- core isomer, we found another band at ~1740 cm-1, which can be assigned to isomers having an (OCS)2- ion core; this dimer core has C2 symmetry and 2A electronic state. The IRPD spectra of the n = 3-6 anions show two IR bands at ~1660 and ~2020 cm-1. The intensity of the latter component relative to that of the former one becomes stronger and stronger with increasing the size from n = 2 to 4, which corresponds to the increase of “solvent" OCS molecules attached to the OCS- ion core, but it suddenly decreases at n = 5 and 6. These IR spectral features of the n = 5 and 6 anions are ascribed to the formation of another (OCS)2- ion core having C2v symmetry with 2B2 electronic state. | |||||||||
| 言語 | en | |||||||||
| 出版者 | ||||||||||
| 出版者 | American Institute of Physics | |||||||||
| 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 | VoR | |||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||
| 関連情報 | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1063/1.4921991 | |||||||||
| 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/10.1063/1.4921991 | |||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 0021-9606 | |||||||||
| 開始ページ | ||||||||||
| 開始ページ | 214306-1 | |||||||||
| 書誌情報 |
The Journal of Chemical Physics The Journal of Chemical Physics 巻 142, 号 21, p. 214306-1-214306-6, 発行日 2015-06-03 |
|||||||||
| 旧ID | 38065 | |||||||||
