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

Yutaka Mune, Kazuhiko Ohashi, Takuro Iino, Yoshiya Inokuchi, Ken Judai, Nobuyuki Nishi, Hiroshi Sekiya

Research output: Contribution to journalArticle

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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)(NH 3)n-1]+ ions are predominant over [Al-(NH 3)n]+ for n ≥ 4, while the adduct structures dominate the spectra of [Al(NH3)n • Ar]+ for n = 1-3.

Original languageEnglish
Pages (from-to)201-206
Number of pages6
JournalChemical Physics Letters
Volume419
Issue number1-3
DOIs
Publication statusPublished - Feb 15 2006

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Photodissociation
Solvation
photodissociation
adducts
solvation
insertion
Spectroscopy
Ions
Infrared radiation
spectroscopy
Density functional theory
Atoms
ions
infrared spectra
density functional theory
atoms
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Infrared photodissociation spectroscopy of [Al(NH3) n]+ (n = 1-5) : Solvation structures and insertion reactions of Al+ into NH3. / Mune, Yutaka; Ohashi, Kazuhiko; Iino, Takuro; Inokuchi, Yoshiya; Judai, Ken; Nishi, Nobuyuki; Sekiya, Hiroshi.

In: Chemical Physics Letters, Vol. 419, No. 1-3, 15.02.2006, p. 201-206.

Research output: Contribution to journalArticle

Mune, Yutaka ; Ohashi, Kazuhiko ; Iino, Takuro ; Inokuchi, Yoshiya ; Judai, Ken ; Nishi, Nobuyuki ; Sekiya, Hiroshi. / Infrared photodissociation spectroscopy of [Al(NH3) n]+ (n = 1-5) : Solvation structures and insertion reactions of Al+ into NH3. In: Chemical Physics Letters. 2006 ; Vol. 419, No. 1-3. pp. 201-206.
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AU - Mune, Yutaka

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AU - Iino, Takuro

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AU - Judai, Ken

AU - Nishi, Nobuyuki

AU - Sekiya, Hiroshi

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AB - 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)(NH 3)n-1]+ ions are predominant over [Al-(NH 3)n]+ for n ≥ 4, while the adduct structures dominate the spectra of [Al(NH3)n • Ar]+ for n = 1-3.

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