Infrared photodissociation spectroscopy of [Al(NH3)n]+ (n = 1-5) : solvation structures and insertion reactions of Al+ into NH3

Chemical Physics Letters Volume 419 Issue 1–3 Page 201-206 published_at 2006-02-15
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Title ( eng )
Infrared photodissociation spectroscopy of [Al(NH3)n]+ (n = 1-5) : solvation structures and insertion reactions of Al+ into NH3
Creator
Mune Yutaka
Ohashi Kazuhiko
Iino Takuro
Judai Ken
Nishi Nobuyuki
Source Title
Chemical Physics Letters
Volume 419
Issue 1–3
Start Page 201
End Page 206
Abstract
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.
Descriptions
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
NDC
Chemistry [ 430 ]
Language
eng
Resource Type journal article
Publisher
Elsevier B.V.
Date of Issued 2006-02-15
Rights
(c) 2005 Published by Elsevier B.V.
Publish Type Author’s Original
Access Rights open access
Source Identifier
[ISSN] 0009-2614
[DOI] 10.1016/j.cplett.2005.11.077
[DOI] http://doi.org/10.1016/j.cplett.2005.11.077 isVersionOf