TY - JOUR
T1 - IR Spectroscopic Investigation on Isomerization of Ionized Ethylene Glycol
AU - Matsuda, Yoshiyuki
AU - Matsuura, Ayumu
AU - Kamiyama, Takahiro
AU - Fujii, Asuka
N1 - Funding Information:
We thank Dr. T. Maeyama for his helpful discussions. Y.M. acknowledges the Grant-in-Aid for Scientific Research (Project No. 26108504 on Innovative Area [2507]) from MEXT Japan. A.F. acknowledges the Grant-in-Aid for Scientific Research (project no. 18H01931) from JSPS.
Publisher Copyright:
© 2019 American Chemical Society.
PY - 2019/6/20
Y1 - 2019/6/20
N2 - It has been known that photoionization of ethylene glycol generates protonated methanol when the ionization energy is in the vicinity of the vertical ionization energy. Although two different isomerization paths have been proposed for the protonated methanol production, the isomerization path has not yet been identified. To investigate the isomerization of ionized ethylene glycol, infrared (IR) predissociation spectroscopy based on vacuum ultraviolet photoionization is carried out for neutral and cationic ethylene glycol and partially deuterated isotopomer (HOCD2CD2OH). The IR spectroscopic results indicate that ionized ethylene glycol isomerizes to the protonated methanol-HCO complex, and the isomerization path involving the double proton transfer is identified. This isomerization path is also supported by the theoretical isomerization path search, which demonstrates that several reaction pathways are mutually intercommunicated.
AB - It has been known that photoionization of ethylene glycol generates protonated methanol when the ionization energy is in the vicinity of the vertical ionization energy. Although two different isomerization paths have been proposed for the protonated methanol production, the isomerization path has not yet been identified. To investigate the isomerization of ionized ethylene glycol, infrared (IR) predissociation spectroscopy based on vacuum ultraviolet photoionization is carried out for neutral and cationic ethylene glycol and partially deuterated isotopomer (HOCD2CD2OH). The IR spectroscopic results indicate that ionized ethylene glycol isomerizes to the protonated methanol-HCO complex, and the isomerization path involving the double proton transfer is identified. This isomerization path is also supported by the theoretical isomerization path search, which demonstrates that several reaction pathways are mutually intercommunicated.
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U2 - 10.1021/acs.jpca.9b02591
DO - 10.1021/acs.jpca.9b02591
M3 - Article
C2 - 31135159
AN - SCOPUS:85067868301
VL - 123
SP - 5122
EP - 5128
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 24
ER -