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Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5
https://hiroshima.repo.nii.ac.jp/records/2007490
https://hiroshima.repo.nii.ac.jp/records/200749031a12a54-9e82-4687-8cf5-7b8ded36f302
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2015_119_8097.pdf (2.2 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 | Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5 | |||||||||||
| 言語 | en | |||||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Ebata, Takayuki
× Rizzo, Thomas R.
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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) 2015 American Chemical Society | |||||||||||
| 権利情報 | ||||||||||||
| 権利情報 | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpca.5b04450. | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | alkaline earth | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | transition metal | |||||||||||
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| 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 | Other | |||||||||||
| 主題 | water | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | crown ether | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | infrared | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | ion trap | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | electrospray | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | solvent effect | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | ultraviolet | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | conformation | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | NDC | |||||||||||
| 主題 | 430 | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述 | We measure UV photodissociation (UVPD) spectra of cold benzo-15-crown-5 (B15C5) and benzo-18-crown-6 (B18C6) complexes with divalent ions (M2+ = Ca2+, Sr2+, Ba2+, and Mn2+), solvated with an H2O or a CH3OH molecule: M2+•B15C5•H2O, M2+•B15C5•CH3OH, M2+•B18C6•H2O, and M2+•B18C6•CH3OH. All the species show a number of sharp vibronic bands in the 36600–37600 cm–1 region, which can be attributed to electronic transitions of the B18C6 or B15C5 component. Conformer-specific IR spectra of these complexes are also obtained by IR-UV double-resonance spectroscopy in the OH stretching region. All the IR-UV spectra of the H2O complexes show IR bands at ~3610 and ~3690 cm–1; these bands can be assigned to the symmetric and asymmetric OH stretching vibrations of the H2O component. The CH3OH complexes also show the stretching vibration of the OH group at ~3630 cm–1. The H2O and the CH3OH components are directly bonded to the M2+ ion through the M2+•••O bond in all the complexes, but a small difference in the conformation results in a noticeable difference in the OH stretching frequency, which enables us to determine the number of conformers. For Ca2+, Sr2+, and Mn2+, the number of conformers for the B18C6 complexes is in the range of 2–5, which is clearly larger than complexes with B15C5 (1 or 2). However for Ba2+, the number of conformers with B18C6 (1 or 2) is almost the same as that with B15C5. This is probably because the Ba2+ ion is too large to be located in the cavity center of either B15C5 and B18C6, which provides an open site at the Ba2+ ion suitable for solvation with H2O or CH3OH. The more conformations a complex can take, the more entropically favored it is at non-zero temperatures. Hence, the larger number of conformations suggests higher stability of the complexes under solvated conditions, leading to a higher degree of ion encapsulation in solution. | |||||||||||
| 言語 | en | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述タイプ | Other | |||||||||||
| 内容記述 | This work is partly supported by the Swiss National Science Foundation through grant 200020_152804 and École Polytechnique Fédérale de Lausanne (EPFL). YI and TE thank the support from JSPS through the program “Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation". | |||||||||||
| 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/acs.jpca.5b04450 | |||||||||||
| 関連情報 | ||||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | https://doi.org/10.1021/acs.jpca.5b04450 | |||||||||||
| 収録物識別子 | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 1089-5639 | |||||||||||
| 収録物識別子 | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 1520-5215 | |||||||||||
| 開始ページ | ||||||||||||
| 開始ページ | 8097 | |||||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 119, 号 29, p. 8097-8105, 発行日 2015-07-23 |
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| 旧ID | 46470 | |||||||||||
