Infrared photodissociation spectra and solvation structures of Mg +(CH3OH)n (n = 1-4)

Hironobu Machinaga, Kazuhiko Ohashi, Yoshiya Inokuchi, Nobuyuki Nishi, Hiroshi Sekiya

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The infrared photodissociation spectra of mass-selected Mg +(CH3OH)n (n=1-4) are measured and analyzed with the aid of density functional theory calculations. Hydrogen bonding between methanol molecules is found to be absent in Mg+(CH 3OH)3, but detected in Mg+(CH 3OH)4 through characteristic frequency shifts of the OH stretch of methanol. The maximum number of the methanol molecules that can be directly bonded to the Mg+ ion is limited to three and the fourth molecule starts to fill the second solvation shell. The vibrational spectroscopy provides clear evidence for the closure of the first shell at n=3.

Original languageEnglish
Pages (from-to)85-90
Number of pages6
JournalChemical Physics Letters
Issue number1-3
Publication statusPublished - Jun 11 2004

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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