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

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

doi:10.1016/j.cplett.2004.04.094

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

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

Physical Chemistry

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	85-90
Number of pages	6
Journal	Chemical Physics Letters
Volume	391
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2004.04.094
Publication status	Published - Jun 11 2004

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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

abstract = "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.",

author = "Hironobu Machinaga and Kazuhiko Ohashi and Yoshiya Inokuchi and Nobuyuki Nishi and Hiroshi Sekiya",

note = "Funding Information: We thank Dr. K. Ohshimo for his help in equipping our photodissociation spectrometer with the laser vaporization source. This work was supported in part by the Joint Studies Program (2003) of the Institute for Molecular Science.",

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doi = "10.1016/j.cplett.2004.04.094",

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T1 - Infrared photodissociation spectra and solvation structures of Mg +(CH3OH)n (n = 1-4)

AU - Machinaga, Hironobu

AU - Ohashi, Kazuhiko

AU - Inokuchi, Yoshiya

AU - Nishi, Nobuyuki

AU - Sekiya, Hiroshi

N1 - Funding Information: We thank Dr. K. Ohshimo for his help in equipping our photodissociation spectrometer with the laser vaporization source. This work was supported in part by the Joint Studies Program (2003) of the Institute for Molecular Science.

PY - 2004/6/11

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N2 - 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.

AB - 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.

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

Abstract

All Science Journal Classification (ASJC) codes

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