| 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 |
Ultraviolet Photodissociation Spectroscopy of Cold K+•Calix[4]arene Complex in the Gas Phase |
|
言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Soga, Kazuki
Hirai, Kenta
Kida, Motoki
Morishima, Fumiya
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 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 c 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.5b05328. |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
calix[4]arene |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
alkali metal |
| 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 |
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 |
The cooling of ionic species in the gas phase greatly simplifies the UV spectrum, which is of special importance to study the electronic and geometric structures of large systems, such as bio-related molecules and host-guest complexes. Many efforts have been devoted to achieving the ion cooling with a cold quadrupole Paul ion trap (QIT), but one problem was insufficient cooling of ions (up to ~30 K) in the QIT. In this study, we construct a mass spectrometer for ultraviolet photodissociation (UVPD) spectroscopy of gas-phase cold ions. The instrument consists of an electrospray ion source, a QIT cooled with a He cryostat, and a time-of-flight mass spectrometer. Giving a great care for the cooling condition, we can achieve ~10 K for the vibrational temperature of ions in the QIT, which is estimated from UVPD spectra of the benzo-18-crown-6 (B18C6) complex with potassium ion, K+•B18C6. Using this setup, we measure a UVPD spectrum of cold calix[4]arene (C4A) complex with potassium ion, K+•C4A. The spectrum shows a very weak band and a strong one at 36018 and 36156 cm–1, respectively, accompanied by many sharp vibronic bands in the 36000–36600 cm–1 region. In the geometry optimization of the K+•C4A complex, we obtain three stable isomers: one endo and two exo forms. On the basis of the total energy and UV spectral patterns predicted by density functional theory calculations, we attribute the structure of the K+•C4A complex to the endo isomer (C2 symmetry), in which the K+ ion is located inside the cup of C4A. The vibronic bands of K+•C4A at 36018 and 36156 cm–1 are assigned to the S1(A)–S0(A) and S2(B)–S0(A) transitions of the endo isomer, respectively. |
|
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 Japan Society for the Promotion of Science (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.5b05328 |
| 関連情報 |
|
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
https://doi.org/10.1021/acs.jpca.5b05328 |
| 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 |
8512 |
| 書誌情報 |
Journal of Physical Chemistry A
Journal of Physical Chemistry A
巻 119,
号 31,
p. 8512-8518,
発行日 2015-08-06
|
| 旧ID |
46471 |
JPhysChemA_2015_119_8512.pdf (1.2 MB)
