| 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 |
UV and IR Spectroscopy of Cryogenically Cooled, Lanthanide-Containing Ions in the Gas Phase |
|
言語 |
en |
| 作成者 |
Inokuchi, Yoshiya
Kaneko, Masashi
Honda, Takumi
Nakashima, Satoru
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) 2016 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 'Inorganic Chemistry', 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.inorgchem.6b02134 |
| 権利情報 |
|
|
権利情報 |
This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
lanthanide |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
ultraviolet spectroscopy |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
conformation |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
cold ion trap |
| 主題 |
|
|
主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
|
|
内容記述 |
We measure UV and IR spectra in the gas phase for EuOH+, EuCl+, and TbO+ ions, which are produced by an electrospray ionization source and cooled to ~10 K in a cold, 22-pole ion trap. The UV photodissociation (UVPD) spectra of these ions show a number of sharp, well-resolved bands in the 30000–38000 cm–1 region, although a definite assignment of the spectra is difficult because of a high degree of congestion. We also measure an IR spectrum of the EuOH+ ion in the 3500–3800 cm–1 region by IR-UV double resonance spectroscopy, which reveals an OH stretching band at 3732 cm–1. We perform density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations of these ions in order to examine the nature of the transitions. The DFT results indicate that the states of highest spin multiplicity (octet for EuOH+ and EuCl+, and septet for TbO+) is substantially more stable than other states of lower spin multiplicity. The TD-DFT calculations suggest that the UV absorption of the EuOH+ and EuCl+ ions arises from Eu(4f)→Eu(5d, 6p) transitions, whereas the electronic transitions of the TbO+ ion are mainly due to the electron promotion of O(2p)→Tb(4f, 6s). The UVPD results of the lanthanide-containing ions in this study suggest the possibility of using lanthanide ions as “conformation reporters" for the gas-phase spectroscopy for large molecules. |
|
言語 |
en |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
This work was partly supported by JSPS KAKENHI Grant Number 16H04098 and by the Swiss National Science Foundation under grant number 200020_152804. |
| 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.inorgchem.6b02134 |
| 関連情報 |
|
|
|
識別子タイプ |
PMID |
|
|
関連識別子 |
27997155 |
| 収録物識別子 |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0020-1669 |
| 収録物識別子 |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
1520-510X |
| 開始ページ |
|
|
開始ページ |
277 |
| 書誌情報 |
Inorganic Chemistry
Inorganic Chemistry
巻 56,
号 1,
p. 277-281,
発行日 2016-12-20
|
| 旧ID |
45813 |
InorgChem_2017_56_277.pdf (964.5 KB)
