| 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 |
UV and IR Spectroscopic Studies of Cold Alkali Metal Ion-Crown Ether Complexes in the Gas Phase |
|
言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Boyarkin, Oleg V.
Kusaka, Ryoji
Haino, Takeharu
Ebata, Takayuki
Rizzo, Thomas R.
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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) 2011 American Chemical Society |
| 主題 |
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主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
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内容記述 |
We report UV photodissociation (UVPD) and IR-UV double-resonance spectra of dibenzo-18-crown-6 (DB18C6) complexes with alkali metal ions (Li+, Na+, K+, Rb+, and Cs+) in a cold, 22-pole ion trap. All the complexes show a number of vibronically resolved UV bands in the 36000－38000 cm-1 region. The Li+ and Na+ complexes each exhibit two stable conformations in the cold ion trap (as verified by IR-UV double-resonance), whereas the K+, Rb+, and Cs+ complexes exist in a single conformation. We analyze the structure of the conformers with the aid of density functional theory (DFT) calculations. In the Li+ and Na+ complexes, DB18C6 distorts the ether ring to fit the cavity size to the small diameter of Li+ and Na+. In the complexes with K+, Rb+, and Cs+, DB18C6 adopts a boat-type (C2v) open conformation. The K+ ion is captured in the cavity of the open conformer thanks to the optimum matching between the cavity size and the ion diameter. The Rb+ and Cs+ ions sit on top of the ether ring, because they are too large to enter the cavity of the open conformer. According to time-dependent DFT calculations, complexes that are highly distorted to hold metal ions open the ether ring upon S1－S0 excitation, and this is confirmed by extensive low-frequency progressions in the UVPD spectra. |
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言語 |
en |
| 内容記述 |
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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 the American Chemical Society, 2011, available online: http://pubs.acs.org/doi/abs/10.1021/ja2046205. |
| 内容記述 |
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内容記述タイプ |
Other |
|
内容記述 |
This work is supported by Grant-in-Aids (Grant No. 21350016) for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan and the Swiss National Science foundation through grant 200020_130579. |
| 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 |
|
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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|
識別子タイプ |
DOI |
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関連識別子 |
10.1021/ja2046205 |
| 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://dx.doi.org/10.1021/ja2046205 |
| 関連情報 |
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識別子タイプ |
PMID |
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関連識別子 |
21728334 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0002-7863 |
| 開始ページ |
|
|
開始ページ |
12256 |
| 書誌情報 |
Journal of the American Chemical Society
Journal of the American Chemical Society
巻 133,
号 31,
p. 12256-12263,
発行日 2011-08-10
|
| 旧ID |
37974 |
JAmChemSoc_2011_133_12256.pdf (2.5 MB)
