UV and IR Spectroscopy of Cryogenically Cooled, Lanthanide-Containing Ions in the Gas Phase
Inorganic Chemistry Volume 56 Issue 1
Page 277-281
published_at 2016-12-20
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Title ( eng ) |
UV and IR Spectroscopy of Cryogenically Cooled, Lanthanide-Containing Ions in the Gas Phase
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Creator |
Kaneko Masashi
Honda Takumi
Rizzo Thomas R.
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Source Title |
Inorganic Chemistry
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Volume | 56 |
Issue | 1 |
Start Page | 277 |
End Page | 281 |
Abstract |
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.
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Keywords |
lanthanide
ultraviolet spectroscopy
conformation
cold ion trap
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Descriptions |
This work was partly supported by JSPS KAKENHI Grant Number 16H04098 and by the Swiss National Science Foundation under grant number 200020_152804.
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NDC |
Chemistry [ 430 ]
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Language |
eng
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Resource Type | journal article |
Publisher |
American Chemical Society
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Date of Issued | 2016-12-20 |
Rights |
Copyright (c) 2016 American Chemical Society
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
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。
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Publish Type | Author’s Original |
Access Rights | open access |
Source Identifier |
[ISSN] 0020-1669
[ISSN] 1520-510X
[DOI] 10.1021/acs.inorgchem.6b02134
[PMID] 27997155
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