Infrared spectra and structures of (CH3NH2)nH+ (n = 1-4). Binding features of an excess proton

Takayuki Michi, Kazuhiko Ohashi, Yoshiya Inokuchi, Nobuyuki Nishi, Hiroshi Sekiya

Research output: Contribution to journalArticle

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Abstract

Infrared photodissociation spectra of CH3NH3+ -Ar and )CH3NH2)nH+ with n = 2-4 are measured in the 2600-3500 cm-1 region and analyzed with the aid of ab initio calculations. The intensities of the CH-stretching transitions relative to the NH-stretching transitions increase with increasing n, suggesting the change of the binding features of an excess proton in the clusters. Two CH3NH2 molecules in (CH3NH2)2H+ equally share the proton. On the other hand, the proton is localized on the central molecule in (CH3NH2)4H+, forming the CH3NH3+ core solvated by three CH3NH2 molecules.

Original languageEnglish
Pages (from-to)111-117
Number of pages7
JournalChemical Physics Letters
Volume371
Issue number1-2
DOIs
Publication statusPublished - Mar 28 2003

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Protons
infrared spectra
Infrared radiation
Molecules
Stretching
protons
Photodissociation
molecules
photodissociation
methylidyne

All Science Journal Classification (ASJC) codes

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

Cite this

Infrared spectra and structures of (CH3NH2)nH+ (n = 1-4). Binding features of an excess proton. / Michi, Takayuki; Ohashi, Kazuhiko; Inokuchi, Yoshiya; Nishi, Nobuyuki; Sekiya, Hiroshi.

In: Chemical Physics Letters, Vol. 371, No. 1-2, 28.03.2003, p. 111-117.

Research output: Contribution to journalArticle

Michi, Takayuki ; Ohashi, Kazuhiko ; Inokuchi, Yoshiya ; Nishi, Nobuyuki ; Sekiya, Hiroshi. / Infrared spectra and structures of (CH3NH2)nH+ (n = 1-4). Binding features of an excess proton. In: Chemical Physics Letters. 2003 ; Vol. 371, No. 1-2. pp. 111-117.
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