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UV and IR Spectroscopy of Cold 1,2-Dimethoxybenzene Complexes with Alkali Metal Ions
https://hiroshima.repo.nii.ac.jp/records/2008034
https://hiroshima.repo.nii.ac.jp/records/20080342e694655-979e-45b5-a6e9-010b92a204e0
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysChemChemPhys_2012_14_4457.pdf (2.1 MB)
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| Item type | デフォルトアイテムタイプ_（フル）(1) | |||||||||||||
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| 公開日 | 2023-03-18 | |||||||||||||
| タイトル | ||||||||||||||
| タイトル | UV and IR Spectroscopy of Cold 1,2-Dimethoxybenzene Complexes with Alkali Metal Ions | |||||||||||||
| 言語 | en | |||||||||||||
| 作成者 |
Inokuchi, Yoshiya
× Inokuchi, Yoshiya
× Boyarkin, Oleg V.
× Ebata, Takayuki
× Thomas R. Rizzo
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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) the Owner Societies 2012 | |||||||||||||
| 主題 | ||||||||||||||
| 主題Scheme | NDC | |||||||||||||
| 主題 | 430 | |||||||||||||
| 内容記述 | ||||||||||||||
| 内容記述 | We report UV photodissociation (UVPD) and IR-UV double-resonance spectra of 1,2-dimethoxybenzene (DMB) complexes with alkali metal ions, M+•DMB (M = Li, Na, K, Rb, and Cs), in a cold, 22-pole ion trap. The UVPD spectrum of the Li+ complex shows a strong origin band. For the K+•DMB, Rb+•DMB, and Cs+•DMB complexes, the origin band is very weak and low-frequency progressions are much more extensive than that of the Li+ ion. In the case of the Na+•DMB complex, spectral features are similar to those of the K+, Rb+, and Cs+ complexes, but vibronic bands are not resolved. Geometry optimization with density functional theory indicates that the metal ions are bonded to the oxygen atoms in all the M+•DMB complexes. For the Li+ complex in the S0 state, the Li+ ion is located in the same plane as the benzene ring, while the Na+, K+, Rb+, and Cs+ ions are off from the plane. In the S1 state, the Li+ complex has a structure similar to that in the S0 state, providing the strong origin band in the UV spectrum. In contrast, the other complexes show a large structural change to the out-of-plane direction upon S1–S0 excitation, which results in the extensive low-frequency progressions in the UVPD spectra. For the Na+•DMB complex, fast charge transfer occurs from Na+ to DMB after the UV excitation, making the bandwidth of the UVPD spectrum much broader than that of the other complexes and producing photofragment DMB+ ion. | |||||||||||||
| 言語 | en | |||||||||||||
| 出版者 | ||||||||||||||
| 出版者 | Royal Society of Chemistry | |||||||||||||
| 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 | 10.1039/C2CP24018A | |||||||||||||
| 関連情報 | ||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | http://dx.doi.org/10.1039/C2CP24018A | |||||||||||||
| 収録物識別子 | ||||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 1463-9076 | |||||||||||||
| 開始ページ | ||||||||||||||
| 開始ページ | 4457 | |||||||||||||
| 書誌情報 |
Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics 巻 14, 号 13, p. 4457-4462, 発行日 2012-01-26 |
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| 旧ID | 37648 | |||||||||||||
