| 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 |
Ion Selectivity of Crown Ethers Investigated by UV and IR Spectroscopy in a Cold Ion Trap |
|
言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Boyarkin, Oleg V.
Kusaka, Ryoji
Haino, Takeharu
Ebata, Takayuki
Rizzo, Thomas R.
|
| 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) 2012 American Chemical Society |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
alkali metal ions |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
18-crown-6 |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
15-crown-5 |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
encapsulation |
| 主題 |
|
|
主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
|
|
内容記述 |
Electronic and vibrational spectra of benzo-15-crown-5 (B15C5) and benzo-18-crown-6 (B18C6) complexes with alkali metal ions, M+・B15C5 and M+・B18C6 (M = Li, Na, K, Rb and Cs), are measured using UV photodissociation (UVPD) and IR-UV double resonance spectroscopy in a cold, 22-pole ion trap. We determine the structure of conformers with the aid of density functional theory calculations. In the Na+・B15C5 and K+・B18C6 complexes, the crown ethers open the most and hold the metal ions at the center of the ether ring, demonstrating the optimum matching in size between the cavity of the crown ethers and the metal ions. For smaller ions, the crown ethers deform the ether ring to decrease the distance and increase the interaction between the metal ions and oxygen atoms; the metal ions are completely surrounded by the ether ring. In the case of larger ions, the metal ions are too large to enter the crown cavity and are positioned on it, leaving one of its sides open for further solvation. Thermochemistry data calculated on the basis of the stable conformers of the complexes suggest that the ion selectivity of crown ethers is controlled primarily by the enthalpy change for the complex formation in solution, which depends strongly on the complex structure. |
|
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, 2012, available online: http://pubs.acs.org/doi/abs/10.1021/jp3011519. |
| 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 No. 21350016) for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan, the Swiss National Science foundation through grant 200020_130579 and École Polytechnique Fédérale de Lausanne (EPFL). |
| 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/jp3011519 |
| 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/jp3011519 |
| 関連情報 |
|
|
|
識別子タイプ |
PMID |
|
|
関連識別子 |
22458930 |
| 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 |
4057 |
| 書誌情報 |
Journal of Physical Chemistry A
Journal of Physical Chemistry A
巻 116,
号 16,
p. 4057-4068,
発行日 2012-04-26
|
| 旧ID |
37976 |
JPhysChemA_2012_116_4057.pdf (4.8 MB)
