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ID 38232
本文ファイル
著者
Mune, Yutaka
Ohashi, Kazuhiko
Iino, Takuro
Judai, Ken
Nishi, Nobuyuki
NDC
化学
抄録(英)
The [Al(NH3)n]+ ions with n = 1–5 are studied by infrared photodissociation spectroscopy and density functional theory calculations. The inserted [H–Al–NH2]+ structure is calculated to be higher in energy than the adduct [Al–NH3]+ structure. However, incremental solvation stabilizes the inserted structure more efficiently than the adduct structure, because of a larger effective charge on the Al atom in [H–Al–NH2]+. Actually, the infrared spectra demonstrate that the [(H–Al–NH2)(NH3)n–1]+ ions are predominant over [Al–(NH3)n]+ for n ≥ 4, while the adduct structures dominate the spectra of [Al(NH3)n・Ar]+ for n = 1–3.
内容記述
This work was supported in part by the Joint Studies Program (2004) of the Institute for Molecular Science and the Grant-in-Aid for Scientific Research (No. 17550014) from the Ministry of Education, Culture, Sports, Science, and Technology of Japan.
This is a postprint of an article published by Elsevier B.V. in Chemical Physics Letters, 2006, available online: http://doi.org/10.1016/j.cplett.2005.11.077
掲載誌名
Chemical Physics Letters
419巻
1–3号
開始ページ
201
終了ページ
206
出版年月日
2006-02-15
出版者
Elsevier B.V.
ISSN
0009-2614
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
author
権利情報
(c) 2005 Published by Elsevier B.V.
関連情報URL(IsVersionOf)
http://doi.org/10.1016/j.cplett.2005.11.077
部局名
理学研究科