Infrared spectroscopy of [(H2S)2(X)1]+ (X = water, methanol, and ethanol): Influence of the microsolvation on the hemibond
Fujii, Asuka
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https://hdl.handle.net/2142/104464
Description
Title
Infrared spectroscopy of [(H2S)2(X)1]+ (X = water, methanol, and ethanol): Influence of the microsolvation on the hemibond
Author(s)
Fujii, Asuka
Contributor(s)
Wang, Dandan
Hattori, Keigo
Issue Date
2019-06-21
Keyword(s)
Clusters/complexes
Abstract
Changes of the excess charge accommodation motif in hemibonded hydrogen sulfide by microsolvation are studied by infrared spectroscopy of the [(H${_2}$S)${_2}$(X)${_1}$]$^{+}$ (X = water, methanol, and ethanol) clusters. While the hemibond in the (H${_2}$S)${_2}$$^{+}$ ion core is stable to the microhydration by a single water molecule, it is broken by the proton transfer with the microsolvation by a single methanol or ethanol molecule. Hetero hemibond formation between hydrogen sulfide and these solvent molecules is not observed. On the other hand, the H${_3}$S$^{+}$ ion core in the protonated H$^{+}$ (H${_2}$S)${_2}$ cluster is switched to H${_3}$O$^{+}$ ion core by the microhydration with a single water molecule, even though the proton affinity of water is lower than that of hydrogen sulfide.
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