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ID 28892
本文ファイル
著者
Matsushima, Ryoko
Kobayashi, Yusuke
NDC
化学
抄録(英)
IR photodissociation (IRPD) spectra of (N2O)(2)(+)center dot Ar and (N2O)(n)(+) with n = 3-8 are measured in the 1000-2300 cm(-1) region. The (N2O)(2)(+)center dot Ar ion shows an IRPD band at 1154 cm(-1), which can be assigned to the out-of-phase combination of the v(1) vibrations of the N2O components in the N4O2+ ion; the positive charge is delocalized over the two N2O molecules. The geometry optimization and the vibrational analysis at the B3LYP/6-311+G* level show that the N4O2+ ion has a C-2h structure with the oxygen ends of the N2O components bonded to each other. The IRPD spectra of the (N2O)(n)(+)(n = 3-8) ions show three prominent bands at similar to 1170, similar to 1275, and similar to 2235 cm(-1). The intensity of the similar to 1170 cm(-1) band relative to that of the other bands decreases with increasing the cluster size. Therefore, the similar to 1170 cm(-1) band is ascribed to the N4O2+ dimer ion core and the similar to 1275 and similar to 2235 cm(-1) bands are assigned to the v(1) and v(3) vibrations of solvent N2O molecules, respectively. Since the band of the N4O2+ ion core is located at almost the same position for all the (N2O)(n)(+)(n = 2-8) clusters, the C-2h structure of the dimer ion core does not change so largely by the solvation of N2O molecules, which is quite contrastive to the isoelectronic (CO2)(n)(+) case.
掲載誌名
Journal of Chemical Physics
131巻
4号
開始ページ
044325-1
終了ページ
044325-6
出版年月日
2009-07-31
出版者
Amer Inst Physics
ISSN
0021-9606
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
publisher
権利情報
Copyright (c) 2009 American Institute of Physics.
関連情報URL
部局名
理学研究科