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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/2007490
31a12a54-9e82-4687-8cf5-7b8ded36f302
名前 / ファイル ライセンス アクション
JPhysChemA_2015_119_8097.pdf JPhysChemA_2015_119_8097.pdf (2.2 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 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

en Inokuchi, Yoshiya

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Ebata, Takayuki

× Ebata, Takayuki

en Ebata, Takayuki

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Rizzo, Thomas R.

× Rizzo, Thomas R.

en 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
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 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
旧ID 46470
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