UV and IR Spectroscopy of Cold 1,2-Dimethoxybenzene Complexes with Alkali Metal Ions
Physical Chemistry Chemical Physics 14 巻 13 号
4457-4462 頁
2012-01-26 発行
アクセス数 : 866 件
ダウンロード数 : 195 件
今月のアクセス数 : 6 件
今月のダウンロード数 : 2 件
この文献の参照には次のURLをご利用ください : https://ir.lib.hiroshima-u.ac.jp/00037648
ファイル情報(添付) | |
タイトル ( eng ) |
UV and IR Spectroscopy of Cold 1,2-Dimethoxybenzene Complexes with Alkali Metal Ions
|
作成者 |
Boyarkin Oleg V.
Thomas R. Rizzo
|
収録物名 |
Physical Chemistry Chemical Physics
|
巻 | 14 |
号 | 13 |
開始ページ | 4457 |
終了ページ | 4462 |
抄録 |
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.
|
NDC分類 |
化学 [ 430 ]
|
言語 |
英語
|
資源タイプ | 学術雑誌論文 |
出版者 |
Royal Society of Chemistry
|
発行日 | 2012-01-26 |
権利情報 |
Copyright (c) the Owner Societies 2012
|
出版タイプ | Author’s Original(十分な品質であるとして、著者から正式な査読に提出される版) |
アクセス権 | オープンアクセス |
収録物識別子 |
[ISSN] 1463-9076
[DOI] 10.1039/C2CP24018A
[DOI] http://dx.doi.org/10.1039/C2CP24018A
~の異版である
|