TY - JOUR
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
Y1 - 2004/6/11
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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U2 - 10.1016/j.cplett.2004.04.094
DO - 10.1016/j.cplett.2004.04.094
M3 - Article
AN - SCOPUS:2542449133
VL - 391
SP - 85
EP - 90
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -